21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
TL;DR: 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate (CAS 197915-45-0) is a chemical compound with molecular formula C23H32O5 and molecular weight 388.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
[17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate, [17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
| Molecular Formula | C23H32O5 |
|---|---|
| Molecular Weight | 388.22 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.22498 |
| Heavy Atoms | 28 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 197915-45-0 |
|---|---|
| SMILES | CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)CO |
| InChIKey | MNQKQGFLLDOCEI-UHFFFAOYSA-N |
Product Overview
21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate (CAS 197915-45-0), with molecular formula C23H32O5 and molecular weight 388.22 g/mol. IUPAC: [17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
Property Insights of 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate. Following Lipinski's Rule of Five, 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate has 1 hydrogen bond donor(s) and 5 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 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate?
The CAS number of 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate is 197915-45-0.
What is the molecular formula of 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate?
The molecular formula of 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate is C23H32O5.
What is the molecular weight of 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate?
The molecular weight of 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate is 388.22 g/mol.
Where can I buy 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate?
You can request a quote for 21-hydroxy-3,20-dioxopregn-4-en-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 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 21-hydroxy-3,20-dioxopregn-4-en-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.