7alpha-Hydroxy-4-cholesten-3-one
TL;DR: 7alpha-Hydroxy-4-cholesten-3-one (CAS 4051-89-2) is a chemical compound with molecular formula C27H44O2 and molecular weight 400.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 7alpha-Hydroxy-4-cholesten-3-one, 7alpha-Hydroxycholest-4-en-3-one, 7 alpha-3ox-C, Cholest-4-en-7alpha-ol-3-one, 7-hydroxy-4-cholesten-3-one
| Molecular Formula | C27H44O2 |
|---|---|
| Molecular Weight | 400.33 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.33414 |
| Heavy Atoms | 29 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 4051-89-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C |
| InChIKey | IOIZWEJGGCZDOL-RQDYSCIWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7alpha-Hydroxy-4-cholesten-3-one (CAS 4051-89-2), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: (7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 7alpha-Hydroxy-4-cholesten-3-one
Property Insights of 7alpha-Hydroxy-4-cholesten-3-one
The XLogP value of 7.3 indicates that 7alpha-Hydroxy-4-cholesten-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 7alpha-Hydroxy-4-cholesten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7alpha-Hydroxy-4-cholesten-3-one has 1 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 7alpha-Hydroxy-4-cholesten-3-one?
The CAS number of 7alpha-Hydroxy-4-cholesten-3-one is 4051-89-2.
What is the molecular formula of 7alpha-Hydroxy-4-cholesten-3-one?
The molecular formula of 7alpha-Hydroxy-4-cholesten-3-one is C27H44O2.
What is the molecular weight of 7alpha-Hydroxy-4-cholesten-3-one?
The molecular weight of 7alpha-Hydroxy-4-cholesten-3-one is 400.33 g/mol.
Where can I buy 7alpha-Hydroxy-4-cholesten-3-one?
You can request a quote for 7alpha-Hydroxy-4-cholesten-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7alpha-Hydroxy-4-cholesten-3-one?
Yes, KEHONG BIO provides custom synthesis services for 7alpha-Hydroxy-4-cholesten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.