17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione
TL;DR: 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione (CAS 6799-23-1) is a chemical compound with molecular formula C24H29ClO4 and molecular weight 416.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: Chlorsuperlutin, Agelin, Sterolibrin, 16-Methylenechlormadinone, Sch 12600
| Molecular Formula | C24H29ClO4 |
|---|---|
| Molecular Weight | 416.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.17545 |
| Heavy Atoms | 29 |
| Complexity | 899.0 |
Chemical Identifiers
| CAS Number | 6799-23-1 |
|---|---|
| SMILES | CC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C |
| InChIKey | MDTBKPVVPCIBIT-USYNNDFZSA-N |
Product Overview
17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione (CAS 6799-23-1), with molecular formula C24H29ClO4 and molecular weight 416.18 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione
Property Insights of 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione
The XLogP value of 3.6 indicates that 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione. Following Lipinski's Rule of Five, 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione has 0 hydrogen bond donor(s) and 4 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 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione?
The CAS number of 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione is 6799-23-1.
What is the molecular formula of 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione?
The molecular formula of 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione is C24H29ClO4.
What is the molecular weight of 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione?
The molecular weight of 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione is 416.18 g/mol.
Where can I buy 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione?
You can request a quote for 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 17-(Acetyloxy)-6-chloro-16-methylenepregna-4,6-diene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.