17,21-Dihydroxypregnane-3,20-dione
TL;DR: 17,21-Dihydroxypregnane-3,20-dione (CAS 566-42-7) is a chemical compound with molecular formula C21H32O4 and molecular weight 348.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: bis(trifluoromethyl)aniline, NCIOpen2_008905, 17,21-Dihydroxypregnane-3,20-dione, A-Pregnan-17,21-diol-3,20-dione, 5-BETA-PREGNAN-17,21-DIOL-3,20-DIONE
| Molecular Formula | C21H32O4 |
|---|---|
| Molecular Weight | 348.23 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.23007 |
| Heavy Atoms | 25 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 566-42-7 |
|---|---|
| SMILES | CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C |
| InChIKey | WNIBSYGPDJBVOA-UHFFFAOYSA-N |
Product Overview
17,21-Dihydroxypregnane-3,20-dione (CAS 566-42-7), with molecular formula C21H32O4 and molecular weight 348.23 g/mol. IUPAC: 17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17,21-Dihydroxypregnane-3,20-dione
Property Insights of 17,21-Dihydroxypregnane-3,20-dione
The XLogP value of 3.2 indicates that 17,21-Dihydroxypregnane-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 17,21-Dihydroxypregnane-3,20-dione. Following Lipinski's Rule of Five, 17,21-Dihydroxypregnane-3,20-dione has 2 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 17,21-Dihydroxypregnane-3,20-dione?
The CAS number of 17,21-Dihydroxypregnane-3,20-dione is 566-42-7.
What is the molecular formula of 17,21-Dihydroxypregnane-3,20-dione?
The molecular formula of 17,21-Dihydroxypregnane-3,20-dione is C21H32O4.
What is the molecular weight of 17,21-Dihydroxypregnane-3,20-dione?
The molecular weight of 17,21-Dihydroxypregnane-3,20-dione is 348.23 g/mol.
Where can I buy 17,21-Dihydroxypregnane-3,20-dione?
You can request a quote for 17,21-Dihydroxypregnane-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17,21-Dihydroxypregnane-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 17,21-Dihydroxypregnane-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.