Cas no 109402-72-4 (4-Methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole)
4-Methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole is a polycyclic organic compound featuring a fused cyclopentane-indole structure. Its rigid, stereochemically defined framework makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for bioactive molecules requiring constrained geometry. The compound’s partially saturated indole core enhances stability while retaining reactivity for further functionalization. Its unique scaffold is advantageous in medicinal chemistry for modulating receptor binding or improving pharmacokinetic properties. The methyl substitution at the 4-position offers additional steric and electronic control for derivatization. Suitable for heterocyclic chemistry applications, this compound provides a versatile building block for complex molecular architectures.
109402-72-4 structure
Product Name:4-Methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
CAS No:109402-72-4
MF:C12H15N
MW:173.254203081131
CID:4821311
Update Time:2025-06-07
4-Methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole Chemical and Physical Properties
Names and Identifiers
-
- 4-Methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole
- 4-methyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
-
- Inchi: 1S/C12H15N/c1-13-11-7-3-2-5-9(11)10-6-4-8-12(10)13/h2-3,5,7,10,12H,4,6,8H2,1H3
- InChI Key: KXXCHROCMHZMKM-UHFFFAOYSA-N
- SMILES: N1(C)C2C=CC=CC=2C2CCCC12
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 201
- XLogP3: 2.8
- Topological Polar Surface Area: 3.2
4-Methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A199007642-1g |
4-Methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole |
109402-72-4 | 97% | 1g |
$390.55 | 2023-09-04 | |
| Chemenu | CM233712-1g |
4-Methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole |
109402-72-4 | 97% | 1g |
$422 | 2023-01-20 |
4-Methyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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