Cas no 856703-83-8 (Des1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl-3-hydroxymethyl Maraviroc)
856703-83-8 structure
Product Name:Des1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl-3-hydroxymethyl Maraviroc
CAS No:856703-83-8
MF:C13H22N4O
MW:250.339982509613
CID:717582
PubChem ID:46781122
Update Time:2025-07-12
Des1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl-3-hydroxymethyl Maraviroc Chemical and Physical Properties
Names and Identifiers
-
- 4H-1,2,4-Triazole-3-methanol,4-(3-exo)-8-azabicyclo[3.2.1]oct-3-yl-5-(1-methylethyl)-
- Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl]-3-hydroxymethyl Maraviroc
- 4-(3-Exo)-8-azabicyclo[3.2.1]oct-3-yl-5-(1-methylethyl)-4H-1,2,4-triazole-3-methanol
- DTXSID00675792
- [4-(8-Azabicyclo[3.2.1]octan-3-yl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methanol
- 856703-83-8
- AKOS030255720
- [4-(8-azabicyclo[3.2.1]octan-3-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanol
- (4-{8-azabicyclo[3.2.1]octan-3-yl}-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methanol
- Des1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl-3-hydroxymethyl Maraviroc
-
- Inchi： 1S/C13H22N4O/c1-8(2)13-16-15-12(7-18)17(13)11-5-9-3-4-10(6-11)14-9/h8-11,14,18H,3-7H2,1-2H3
- InChI Key： LPYSKZZVODVGAC-UHFFFAOYSA-N
- SMILES： OCC1=NN=C(C(C)C)N1C1CC2CCC(C1)N2
Computed Properties
- Exact Mass: 250.17900
- Monoisotopic Mass: 250.179
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 287
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63A^2
- XLogP3: 0.4
Experimental Properties
- Density: 1.41
- Melting Point: 65-73°C, recrystallized ~85°C, melts at 191-193°C
- Boiling Point: 449.7°C at 760 mmHg
- Flash Point: 225.8°C
- Refractive Index: 1.7
- PSA: 62.97000
- LogP: 1.67810
Des1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl-3-hydroxymethyl Maraviroc Security Information
- Storage Condition：-20°C Freezer, Under inert atmosphere
Des1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl-3-hydroxymethyl Maraviroc Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D288815-1mg |
Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl]-3-hydroxymethyl Maraviroc |
856703-83-8 | 1mg |
$ 184.00 | 2023-09-08 | ||
| TRC | D288815-2mg |
Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl]-3-hydroxymethyl Maraviroc |
856703-83-8 | 2mg |
$339.00 | 2023-05-18 | ||
| TRC | D288815-5mg |
Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl]-3-hydroxymethyl Maraviroc |
856703-83-8 | 5mg |
$781.00 | 2023-05-18 | ||
| TRC | D288815-10mg |
Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl]-3-hydroxymethyl Maraviroc |
856703-83-8 | 10mg |
$1315.00 | 2023-05-18 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-211242-1 mg |
Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl]-3-hydroxymethyl Maraviroc, |
856703-83-8 | 1mg |
￥2,858.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-211242-1mg |
Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl]-3-hydroxymethyl Maraviroc, |
856703-83-8 | 1mg |
￥2858.00 | 2023-09-05 |
Des1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl-3-hydroxymethyl Maraviroc Related Literature
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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