4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate
TL;DR: 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate (CAS 19892-45-6) is a chemical compound with molecular formula C23H28Cl2O4 and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyl-4,6-dichloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
Also Known As: 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate, 17-(Acetyloxy)-4,6-dichloropregna-4,6-diene-3,20-dione, Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-4,6-dichloro-, Pregna-4,6-diene-3,20-dione, 4,6-dichloro-17-hydroxy-, acetate, (17-acetyl-4,6-dichloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
| Molecular Formula | C23H28Cl2O4 |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.13647 |
| Heavy Atoms | 29 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 19892-45-6 |
|---|---|
| SMILES | CC(=O)C1(CCC2C1(CCC3C2C=C(C4=C(C(=O)CCC34C)Cl)Cl)C)OC(=O)C |
| InChIKey | OBYHDLYSXGXEMJ-UHFFFAOYSA-N |
Product Overview
4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate (CAS 19892-45-6), with molecular formula C23H28Cl2O4 and molecular weight 438.14 g/mol. IUPAC: (17-acetyl-4,6-dichloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate.
Chemical Property Profile of 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate
Property Insights of 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate
The XLogP value of 4.4 indicates that 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate 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 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate. Following Lipinski's Rule of Five, 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate 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 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate?
The CAS number of 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate is 19892-45-6.
What is the molecular formula of 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate?
The molecular formula of 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate is C23H28Cl2O4.
What is the molecular weight of 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate?
The molecular weight of 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate is 438.14 g/mol.
Where can I buy 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate?
You can request a quote for 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dichloro-3,20-dioxopregna-4,6-dien-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.