4-Azidophenacyl lithocholate
TL;DR: 4-Azidophenacyl lithocholate (CAS 149021-83-0) is a chemical compound with molecular formula C32H45N3O4 and molecular weight 535.341 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-azidophenyl)-2-oxoethyl] (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Also Known As: 4-Azidophenacyl lithocholate, p-azidophenacyl 3, A-hydroxy-5, A-cholan-24-oate, 6-chloro-N-cyclopropyl-3-pyridinylmethaneamine
Technical Specifications
| Molecular Formula | C32H45N3O4 |
| Molecular Weight | 535.341 g/mol |
| XLogP | 8.9 |
| Topological Polar Surface Area (TPSA) | 78.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 535.341 Da |
| Heavy Atoms | 39 |
| Complexity | 957.0 |
| SMILES | C[C@H](CCC(=O)OCC(=O)C1=CC=C(C=C1)N=[N+]=[N-])[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C |
| InChIKey | SIKCBCFCVHCONT-KHPBNNDWSA-N |
Chemical Property Profile of 4-Azidophenacyl lithocholate
Property Insights of 4-Azidophenacyl lithocholate
The XLogP value of 8.9 indicates that 4-Azidophenacyl lithocholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Azidophenacyl lithocholate. Following Lipinski's Rule of Five, 4-Azidophenacyl lithocholate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Azidophenacyl lithocholate?
The CAS number of 4-Azidophenacyl lithocholate is 149021-83-0.
What is the molecular formula of 4-Azidophenacyl lithocholate?
The molecular formula of 4-Azidophenacyl lithocholate is C32H45N3O4.
What is the molecular weight of 4-Azidophenacyl lithocholate?
The molecular weight of 4-Azidophenacyl lithocholate is 535.341 g/mol.
Where can I buy 4-Azidophenacyl lithocholate?
You can request a quote for 4-Azidophenacyl lithocholate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Azidophenacyl lithocholate?
Yes, CoreyChem provides custom synthesis services for 4-Azidophenacyl lithocholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.