Cholesta-1,4-dien-3-one
TL;DR: Cholesta-1,4-dien-3-one (CAS 57109-90-7) is a chemical compound with molecular formula C27H42O and molecular weight 382.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,13-dimethyl-17-(6-methylheptan-2-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: Cholesta-1,4-dien-3-one, 1,4-cholestadien-3-one, cholesta-1,4-diene-3-one, Cholesta-1,4-dien-3-one (8CI)(9CI), (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C27H42O |
|---|---|
| Molecular Weight | 382.32 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.32358 |
| Heavy Atoms | 28 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 57109-90-7 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C)C |
| InChIKey | AARSTNLEOKIRTL-UHFFFAOYSA-N |
Product Overview
Cholesta-1,4-dien-3-one (CAS 57109-90-7), with molecular formula C27H42O and molecular weight 382.32 g/mol. IUPAC: 10,13-dimethyl-17-(6-methylheptan-2-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Cholesta-1,4-dien-3-one
Property Insights of Cholesta-1,4-dien-3-one
The XLogP value of 8.7 indicates that Cholesta-1,4-dien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Cholesta-1,4-dien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesta-1,4-dien-3-one 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 Cholesta-1,4-dien-3-one?
The CAS number of Cholesta-1,4-dien-3-one is 57109-90-7.
What is the molecular formula of Cholesta-1,4-dien-3-one?
The molecular formula of Cholesta-1,4-dien-3-one is C27H42O.
What is the molecular weight of Cholesta-1,4-dien-3-one?
The molecular weight of Cholesta-1,4-dien-3-one is 382.32 g/mol.
Where can I buy Cholesta-1,4-dien-3-one?
You can request a quote for Cholesta-1,4-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesta-1,4-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for Cholesta-1,4-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.