3beta,4-Dimethyl-4-aza-5alpha-cholestane
TL;DR: 3beta,4-Dimethyl-4-aza-5alpha-cholestane (CAS 54548-48-0) is a chemical compound with molecular formula C28H51N and molecular weight 401.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aS,3bS,5aR,7S,9aR,9bS,11aR)-6,7,9a,11a-tetramethyl-1-[(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: 3beta,4-Dimethyl-4-aza-5alpha-cholestane, 4-Aza-5alpha-cholestane, 3beta,4-dimethyl-, A,4-dimethyl-4-aza-5, A-cholestane, 4-Aza-5.alpha.-cholestane,4-dimethyl-
| Molecular Formula | C28H51N |
|---|---|
| Molecular Weight | 401.40 g/mol |
| LogP | 9.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.40216 |
| Heavy Atoms | 29 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 54548-48-0 |
|---|---|
| SMILES | C[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2N1C)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
| InChIKey | GWWAUGFEXKPHIM-OXKYWHGHSA-N |
Product Overview
3beta,4-Dimethyl-4-aza-5alpha-cholestane (CAS 54548-48-0), with molecular formula C28H51N and molecular weight 401.40 g/mol. IUPAC: (1R,3aS,3bS,5aR,7S,9aR,9bS,11aR)-6,7,9a,11a-tetramethyl-1-[(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 3beta,4-Dimethyl-4-aza-5alpha-cholestane
Property Insights of 3beta,4-Dimethyl-4-aza-5alpha-cholestane
The XLogP value of 9.5 indicates that 3beta,4-Dimethyl-4-aza-5alpha-cholestane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 3beta,4-Dimethyl-4-aza-5alpha-cholestane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta,4-Dimethyl-4-aza-5alpha-cholestane 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 3beta,4-Dimethyl-4-aza-5alpha-cholestane?
The CAS number of 3beta,4-Dimethyl-4-aza-5alpha-cholestane is 54548-48-0.
What is the molecular formula of 3beta,4-Dimethyl-4-aza-5alpha-cholestane?
The molecular formula of 3beta,4-Dimethyl-4-aza-5alpha-cholestane is C28H51N.
What is the molecular weight of 3beta,4-Dimethyl-4-aza-5alpha-cholestane?
The molecular weight of 3beta,4-Dimethyl-4-aza-5alpha-cholestane is 401.40 g/mol.
Where can I buy 3beta,4-Dimethyl-4-aza-5alpha-cholestane?
You can request a quote for 3beta,4-Dimethyl-4-aza-5alpha-cholestane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta,4-Dimethyl-4-aza-5alpha-cholestane?
Yes, KEHONG BIO provides custom synthesis services for 3beta,4-Dimethyl-4-aza-5alpha-cholestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.