4-Chlorocholest-4-en-3-one
TL;DR: 4-Chlorocholest-4-en-3-one (CAS 6941-07-7) is a chemical compound with molecular formula C27H43ClO and molecular weight 418.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13R,14S,17R)-4-chloro-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: 4-Chlorocholest-4-en-3-one, 4-Chloro-4-cholesten-3-one, 4-Chlorocholesta-4-ene-3-one, J1.399.696B, (8S,9S,10R,13R,14S,17R)-4-chloro-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
| Molecular Formula | C27H43ClO |
|---|---|
| Molecular Weight | 418.30 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.30023 |
| Heavy Atoms | 29 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 6941-07-7 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=O)CC[C@]34C)Cl)C |
| InChIKey | SDJLSMWANITDPE-OLZFZNDLSA-N |
Product Overview
4-Chlorocholest-4-en-3-one (CAS 6941-07-7), with molecular formula C27H43ClO and molecular weight 418.30 g/mol. IUPAC: (8S,9S,10R,13R,14S,17R)-4-chloro-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 4-Chlorocholest-4-en-3-one
Property Insights of 4-Chlorocholest-4-en-3-one
The XLogP value of 9.3 indicates that 4-Chlorocholest-4-en-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, 4-Chlorocholest-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorocholest-4-en-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 4-Chlorocholest-4-en-3-one?
The CAS number of 4-Chlorocholest-4-en-3-one is 6941-07-7.
What is the molecular formula of 4-Chlorocholest-4-en-3-one?
The molecular formula of 4-Chlorocholest-4-en-3-one is C27H43ClO.
What is the molecular weight of 4-Chlorocholest-4-en-3-one?
The molecular weight of 4-Chlorocholest-4-en-3-one is 418.30 g/mol.
Where can I buy 4-Chlorocholest-4-en-3-one?
You can request a quote for 4-Chlorocholest-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorocholest-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorocholest-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.