Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate
TL;DR: Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate (CAS 14569-62-1) is a chemical compound with molecular formula C23H35O5P and molecular weight 422.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl)-ethoxyphosphinic acid
Also Known As: Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate, ethyl hydrogen(3,20-dioxopregn-4-en-16-yl)phosphonate, (17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl)-ethoxyphosphinic acid
| Molecular Formula | C23H35O5P |
|---|---|
| Molecular Weight | 422.22 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.2222 |
| Heavy Atoms | 29 |
| Complexity | 803.0 |
Chemical Identifiers
| CAS Number | 14569-62-1 |
|---|---|
| SMILES | CCOP(=O)(C1CC2C3CCC4=CC(=O)CCC4(C3CCC2(C1C(=O)C)C)C)O |
| InChIKey | ARGWAAXIRBUPTJ-UHFFFAOYSA-N |
Product Overview
Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate (CAS 14569-62-1), with molecular formula C23H35O5P and molecular weight 422.22 g/mol. IUPAC: (17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl)-ethoxyphosphinic acid.
Chemical Property Profile of Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate
Property Insights of Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate. Following Lipinski's Rule of Five, Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate 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 Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate?
The CAS number of Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate is 14569-62-1.
What is the molecular formula of Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate?
The molecular formula of Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate is C23H35O5P.
What is the molecular weight of Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate?
The molecular weight of Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate is 422.22 g/mol.
Where can I buy Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate?
You can request a quote for Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl hydrogen (3,20-dioxopregn-4-en-16-yl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.