4-氯孕酮
TL;DR: 4-氯孕酮 (CAS 1164-81-4) is a chemical compound with molecular formula C21H29ClO2 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯孕酮
(8S,9S,10R,13S,14S,17S)-17-acetyl-4-chloro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 4-Chloroprogesterone, 4-Chlor-progesterone, 4-Chloropregn-4-ene-3,20-dione, 4-Chlor-Progesteron, Pregn-4-ene-3,20-dione, 4-chloro-
| Molecular Formula | C21H29ClO2 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.1856 |
| Heavy Atoms | 24 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 1164-81-4 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=O)CC[C@]34C)Cl)C |
| InChIKey | MSWUPHPHYAFBLX-QCGOMIHKSA-N |
Product Overview
4-氯孕酮 (CAS 1164-81-4), with molecular formula C21H29ClO2 and molecular weight 348.19 g/mol. IUPAC: (8S,9S,10R,13S,14S,17S)-17-acetyl-4-chloro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 4-氯孕酮
Property Insights of 4-氯孕酮
The XLogP value of 4.7 indicates that 4-氯孕酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 4-氯孕酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯孕酮 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-氯孕酮?
The CAS number of 4-氯孕酮 is 1164-81-4.
What is the molecular formula of 4-氯孕酮?
The molecular formula of 4-氯孕酮 is C21H29ClO2.
What is the molecular weight of 4-氯孕酮?
The molecular weight of 4-氯孕酮 is 348.19 g/mol.
Where can I buy 4-氯孕酮?
You can request a quote for 4-氯孕酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯孕酮?
Yes, KEHONG BIO provides custom synthesis services for 4-氯孕酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.