1,4,6-Cholestatrien-3-one
TL;DR: 1,4,6-Cholestatrien-3-one (CAS 3464-60-6) is a chemical compound with molecular formula C27H40O and molecular weight 380.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Cholesta-1,4,6-trien-3-one, 1,4,6-cholestatrien-3-one, 1,4,6-cholestatrien-3 one, 1,4,6-cholesta-trien-3-one, (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C27H40O |
|---|---|
| Molecular Weight | 380.31 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.30792 |
| Heavy Atoms | 28 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 3464-60-6 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)C=C[C@]34C)C |
| InChIKey | NIJCHQWGAFQPFT-GYKMGIIDSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,6-Cholestatrien-3-one (CAS 3464-60-6), with molecular formula C27H40O and molecular weight 380.31 g/mol. IUPAC: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 1,4,6-Cholestatrien-3-one
Property Insights of 1,4,6-Cholestatrien-3-one
The XLogP value of 8.5 indicates that 1,4,6-Cholestatrien-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, 1,4,6-Cholestatrien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,6-Cholestatrien-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 1,4,6-Cholestatrien-3-one?
The CAS number of 1,4,6-Cholestatrien-3-one is 3464-60-6.
What is the molecular formula of 1,4,6-Cholestatrien-3-one?
The molecular formula of 1,4,6-Cholestatrien-3-one is C27H40O.
What is the molecular weight of 1,4,6-Cholestatrien-3-one?
The molecular weight of 1,4,6-Cholestatrien-3-one is 380.31 g/mol.
Where can I buy 1,4,6-Cholestatrien-3-one?
You can request a quote for 1,4,6-Cholestatrien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,6-Cholestatrien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4,6-Cholestatrien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.