Cas no 87087-21-6 (trans-3-(isoquinolin-5-yl)acrylic Acid)
Technical Introduction: trans-3-(isoquinolin-5-yl)acrylic Acid
trans-3-(Isoquinolin-5-yl)acrylic acid is a versatile organic compound featuring an isoquinoline scaffold conjugated with an acrylic acid moiety. Its rigid aromatic structure and α,β-unsaturated carboxylic acid functionality make it a valuable intermediate in medicinal chemistry, particularly for the synthesis of bioactive molecules and heterocyclic derivatives. The compound exhibits potential as a building block for drug discovery, owing to its ability to participate in Michael additions, cyclizations, and cross-coupling reactions. Its well-defined trans-configuration ensures consistent reactivity, while the isoquinoline core contributes to π-stacking interactions, enhancing binding affinity in target applications. Suitable for use in small-molecule libraries and structure-activity relationship (SAR) studies.
87087-21-6 structure
Product Name:trans-3-(isoquinolin-5-yl)acrylic Acid
CAS No:87087-21-6
MF:C12H9NO2
MW:199.205363035202
CID:1860961
PubChem ID:62812808
Update Time:2025-05-26
trans-3-(isoquinolin-5-yl)acrylic Acid Chemical and Physical Properties
Names and Identifiers
-
- (E)-3-(5-isoquinolyl)prop-2-enoic acid
- trans-3-(isoquinolin-5-yl)acrylic acid
- CS-0270752
- SCHEMBL22319877
- EN300-1857268
- 3-(ISOQUINOLIN-5-YL)PROP-2-ENOIC ACID
- (E)-3-isoquinolin-5-ylprop-2-enoic acid
- DB-309437
- 87087-21-6
- (2E)-3-(ISOQUINOLIN-5-YL)PROP-2-ENOIC ACID
- EN300-1457201
- (E)-3-(Isoquinolin-5-yl)acrylic acid
- 2-Propenoic acid, 3-(5-isoquinolinyl)-, (E)-
- trans-3-(isoquinolin-5-yl)acrylic Acid
-
- MDL： MFCD06205899
- Inchi： 1S/C12H9NO2/c14-12(15)5-4-9-2-1-3-10-8-13-7-6-11(9)10/h1-8H,(H,14,15)/b5-4+
- InChI Key： LTRLMZADZIVBNC-SNAWJCMRSA-N
- SMILES： OC(/C=C/C1=CC=CC2C=NC=CC=21)=O
Computed Properties
- Exact Mass: 199.063328530Da
- Monoisotopic Mass: 199.063328530Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 262
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 50.2?2
trans-3-(isoquinolin-5-yl)acrylic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | I822495-10mg |
trans-3-(isoquinolin-5-yl)acrylic Acid |
87087-21-6 | 10mg |
$ 50.00 | 2022-06-04 | ||
| TRC | I822495-50mg |
trans-3-(isoquinolin-5-yl)acrylic Acid |
87087-21-6 | 50mg |
$ 135.00 | 2022-06-04 | ||
| TRC | I822495-100mg |
trans-3-(isoquinolin-5-yl)acrylic Acid |
87087-21-6 | 100mg |
$ 210.00 | 2022-06-04 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1341422-50mg |
(E)-3-(Isoquinolin-5-yl)acrylic acid |
87087-21-6 | 98% | 50mg |
￥26930.00 | 2024-04-27 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1341422-100mg |
(E)-3-(Isoquinolin-5-yl)acrylic acid |
87087-21-6 | 98% | 100mg |
￥28226.00 | 2024-04-27 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1341422-250mg |
(E)-3-(Isoquinolin-5-yl)acrylic acid |
87087-21-6 | 98% | 250mg |
￥29505.00 | 2024-04-27 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1341422-500mg |
(E)-3-(Isoquinolin-5-yl)acrylic acid |
87087-21-6 | 98% | 500mg |
￥35935.00 | 2024-04-27 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1341422-1g |
(E)-3-(Isoquinolin-5-yl)acrylic acid |
87087-21-6 | 98% | 1g |
￥32071.00 | 2024-04-27 | |
| Enamine | EN300-1857268-0.05g |
3-(isoquinolin-5-yl)prop-2-enoic acid, trans |
87087-21-6 | 0.05g |
$768.0 | 2023-09-18 | ||
| Enamine | EN300-1857268-0.1g |
3-(isoquinolin-5-yl)prop-2-enoic acid, trans |
87087-21-6 | 0.1g |
$804.0 | 2023-09-18 |
trans-3-(isoquinolin-5-yl)acrylic Acid Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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