21-羟基-3,20-二氧代孕-4-烯-19-酸
TL;DR: 21-羟基-3,20-二氧代孕-4-烯-19-酸 (CAS 85864-33-1) is a chemical compound with molecular formula C21H28O5 and molecular weight 360.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
21-羟基-3,20-二氧代孕-4-烯-19-酸
(8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxylic acid
Also Known As: 19-Oic-doc, 19-Oic-deoxycorticosterone, Deoxycorticosterone-19-oic, 19-Oic-11-deoxycorticosterone, 19-carboxy-deoxycorticosterone
| Molecular Formula | C21H28O5 |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.19366 |
| Heavy Atoms | 26 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 85864-33-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C(=O)O |
| InChIKey | RUPOMAOZPOVHQZ-XYNCURNNSA-N |
Product Overview
21-羟基-3,20-二氧代孕-4-烯-19-酸 (CAS 85864-33-1), with molecular formula C21H28O5 and molecular weight 360.19 g/mol. IUPAC: (8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxylic acid.
Chemical Property Profile of 21-羟基-3,20-二氧代孕-4-烯-19-酸
Property Insights of 21-羟基-3,20-二氧代孕-4-烯-19-酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 21-羟基-3,20-二氧代孕-4-烯-19-酸. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-羟基-3,20-二氧代孕-4-烯-19-酸. Following Lipinski's Rule of Five, 21-羟基-3,20-二氧代孕-4-烯-19-酸 has 2 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-羟基-3,20-二氧代孕-4-烯-19-酸?
The CAS number of 21-羟基-3,20-二氧代孕-4-烯-19-酸 is 85864-33-1.
What is the molecular formula of 21-羟基-3,20-二氧代孕-4-烯-19-酸?
The molecular formula of 21-羟基-3,20-二氧代孕-4-烯-19-酸 is C21H28O5.
What is the molecular weight of 21-羟基-3,20-二氧代孕-4-烯-19-酸?
The molecular weight of 21-羟基-3,20-二氧代孕-4-烯-19-酸 is 360.19 g/mol.
Where can I buy 21-羟基-3,20-二氧代孕-4-烯-19-酸?
You can request a quote for 21-羟基-3,20-二氧代孕-4-烯-19-酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-羟基-3,20-二氧代孕-4-烯-19-酸?
Yes, KEHONG BIO provides custom synthesis services for 21-羟基-3,20-二氧代孕-4-烯-19-酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.