4-Methyl-4-azacholestane
TL;DR: 4-Methyl-4-azacholestane (CAS 21508-38-3) is a chemical compound with molecular formula C27H49N and molecular weight 387.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline
Also Known As: 4-Methyl-4-azacholestane, 4-Methyl-4-aza-5alpha-cholestane, 4-Methyl-4-aza-5, A-cholestan, 4-methyl-4-aza-5
| Molecular Formula | C27H49N |
|---|---|
| Molecular Weight | 387.39 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.3865 |
| Heavy Atoms | 28 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 21508-38-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)C1CC[C@@]2([C@H]3CC[C@]4(CCC[C@H]4[C@@H]3CC[C@H]2N1C)C)C |
| InChIKey | ZBHJPJSJUPTGSI-DLIDQQGSSA-N |
Product Overview
4-Methyl-4-azacholestane (CAS 21508-38-3), with molecular formula C27H49N and molecular weight 387.39 g/mol. IUPAC: (3aS,3bS,5aR,9aR,9bS,11aR)-6,9a,11a-trimethyl-7-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,5,5a,7,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline.
Chemical Property Profile of 4-Methyl-4-azacholestane
Property Insights of 4-Methyl-4-azacholestane
The XLogP value of 9.3 indicates that 4-Methyl-4-azacholestane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 4-Methyl-4-azacholestane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-4-azacholestane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methyl-4-azacholestane?
The CAS number of 4-Methyl-4-azacholestane is 21508-38-3.
What is the molecular formula of 4-Methyl-4-azacholestane?
The molecular formula of 4-Methyl-4-azacholestane is C27H49N.
What is the molecular weight of 4-Methyl-4-azacholestane?
The molecular weight of 4-Methyl-4-azacholestane is 387.39 g/mol.
Where can I buy 4-Methyl-4-azacholestane?
You can request a quote for 4-Methyl-4-azacholestane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-4-azacholestane?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-4-azacholestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.