6-Azacholest-4-en-3-ol-7-one
TL;DR: 6-Azacholest-4-en-3-ol-7-one (CAS 111300-81-3) is a chemical compound with molecular formula C26H43NO2 and molecular weight 401.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,5,7,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-4-one
Also Known As: 6-Azacholesterol, 6-Azacholest-4-en-3-ol-7-one, (1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,5,7,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-4-one, (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-Dimethyl-1-(6-methylheptan-2-yl)-2,3,3a,3b,7,8,9,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridine-4,7-diol, 9a,11a-Dimethyl-1-(6-methylheptan-2-yl)-2,3,3a,3b,7,8,9,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridine-4,7-diol
| Molecular Formula | C26H43NO2 |
|---|---|
| Molecular Weight | 401.33 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.32938 |
| Heavy Atoms | 29 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 111300-81-3 |
|---|---|
| SMILES | CC(C)CCCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)NC4=C[C@H](CC[C@]34C)O)C |
| InChIKey | PXMSFBUTEONYPF-IIXLLSPNSA-N |
Product Overview
6-Azacholest-4-en-3-ol-7-one (CAS 111300-81-3), with molecular formula C26H43NO2 and molecular weight 401.33 g/mol. IUPAC: (1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,5,7,8,9,9b,10,11-dodecahydrocyclopenta[i]phenanthridin-4-one.
Chemical Property Profile of 6-Azacholest-4-en-3-ol-7-one
Property Insights of 6-Azacholest-4-en-3-ol-7-one
The XLogP value of 6.8 indicates that 6-Azacholest-4-en-3-ol-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 6-Azacholest-4-en-3-ol-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Azacholest-4-en-3-ol-7-one has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Azacholest-4-en-3-ol-7-one?
The CAS number of 6-Azacholest-4-en-3-ol-7-one is 111300-81-3.
What is the molecular formula of 6-Azacholest-4-en-3-ol-7-one?
The molecular formula of 6-Azacholest-4-en-3-ol-7-one is C26H43NO2.
What is the molecular weight of 6-Azacholest-4-en-3-ol-7-one?
The molecular weight of 6-Azacholest-4-en-3-ol-7-one is 401.33 g/mol.
Where can I buy 6-Azacholest-4-en-3-ol-7-one?
You can request a quote for 6-Azacholest-4-en-3-ol-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Azacholest-4-en-3-ol-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Azacholest-4-en-3-ol-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.