Deoxycorticosterone 21-glucoside
TL;DR: Deoxycorticosterone 21-glucoside (CAS 4319-56-6) is a chemical compound with molecular formula C27H40O8 and molecular weight 492.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,13-dimethyl-17-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: Deoxycorticosterone 21-glucoside, Cortexone 21-glucoside, 21-Hydroxyprogesterone 21-glucoside, 4-Pregnen-21-ol-3,20-dione glucoside, 21-Hydroxy-4-pregnene-3,20-dione 21-glucoside
| Molecular Formula | C27H40O8 |
|---|---|
| Molecular Weight | 492.27 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.2723 |
| Heavy Atoms | 35 |
| Complexity | 886.0 |
Chemical Identifiers
| CAS Number | 4319-56-6 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2C(=O)COC4C(C(C(C(O4)CO)O)O)O)CCC5=CC(=O)CCC35C |
| InChIKey | SMSMUZPFFJLROV-UHFFFAOYSA-N |
Product Overview
Deoxycorticosterone 21-glucoside (CAS 4319-56-6), with molecular formula C27H40O8 and molecular weight 492.27 g/mol. IUPAC: 10,13-dimethyl-17-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Deoxycorticosterone 21-glucoside
Property Insights of Deoxycorticosterone 21-glucoside
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxycorticosterone 21-glucoside. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxycorticosterone 21-glucoside. Following Lipinski's Rule of Five, Deoxycorticosterone 21-glucoside has 4 hydrogen bond donor(s) and 8 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 Deoxycorticosterone 21-glucoside?
The CAS number of Deoxycorticosterone 21-glucoside is 4319-56-6.
What is the molecular formula of Deoxycorticosterone 21-glucoside?
The molecular formula of Deoxycorticosterone 21-glucoside is C27H40O8.
What is the molecular weight of Deoxycorticosterone 21-glucoside?
The molecular weight of Deoxycorticosterone 21-glucoside is 492.27 g/mol.
Where can I buy Deoxycorticosterone 21-glucoside?
You can request a quote for Deoxycorticosterone 21-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxycorticosterone 21-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Deoxycorticosterone 21-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.