3-beta-Chloropregn-5-en-20-one
TL;DR: 3-beta-Chloropregn-5-en-20-one (CAS 1906-01-0) is a chemical compound with molecular formula C21H31ClO and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S,8S,9S,10R,13S,14S,17S)-3-chloro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 3-beta-Chloropregn-5-en-20-one, 3-chloropregn-5-en-20-one, 3beta-Chloropregn-5-en-20-one, Pregn-5-en-20-one, 3-beta-chloro-, 3-beta-Chloro-delta(sup 5)-pregnen-20-one
| Molecular Formula | C21H31ClO |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.20633 |
| Heavy Atoms | 23 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 1906-01-0 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)Cl)C)C |
| InChIKey | OIDXWRLKJLJKRZ-QGVNFLHTSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-beta-Chloropregn-5-en-20-one (CAS 1906-01-0), with molecular formula C21H31ClO and molecular weight 334.21 g/mol. IUPAC: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-chloro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 3-beta-Chloropregn-5-en-20-one
Property Insights of 3-beta-Chloropregn-5-en-20-one
The XLogP value of 5.5 indicates that 3-beta-Chloropregn-5-en-20-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, 3-beta-Chloropregn-5-en-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-beta-Chloropregn-5-en-20-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 3-beta-Chloropregn-5-en-20-one?
The CAS number of 3-beta-Chloropregn-5-en-20-one is 1906-01-0.
What is the molecular formula of 3-beta-Chloropregn-5-en-20-one?
The molecular formula of 3-beta-Chloropregn-5-en-20-one is C21H31ClO.
What is the molecular weight of 3-beta-Chloropregn-5-en-20-one?
The molecular weight of 3-beta-Chloropregn-5-en-20-one is 334.21 g/mol.
Where can I buy 3-beta-Chloropregn-5-en-20-one?
You can request a quote for 3-beta-Chloropregn-5-en-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-beta-Chloropregn-5-en-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3-beta-Chloropregn-5-en-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.