17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione
TL;DR: 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione (CAS 5425-27-4) 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.
(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-1,11-dione
Also Known As: Sid 768609, 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione, 17,21-Dihydroxypregn-2-ene-1,11,20-trione, 17,21-dihydroxy-5, A-pregn-2-ene-1,11,20-trione
| Molecular Formula | C21H28O5 |
|---|---|
| Molecular Weight | 360.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.19366 |
| Heavy Atoms | 26 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 5425-27-4 |
|---|---|
| SMILES | C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CC[C@H]4[C@@]3(C(=O)C=CC4)C |
| InChIKey | XSQSKVNFSNWKKP-XAFDRUEVSA-N |
Product Overview
17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione (CAS 5425-27-4), with molecular formula C21H28O5 and molecular weight 360.19 g/mol. IUPAC: (5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-1,11-dione.
Chemical Property Profile of 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione
Property Insights of 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione. Following Lipinski's Rule of Five, 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione 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 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione?
The CAS number of 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione is 5425-27-4.
What is the molecular formula of 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione?
The molecular formula of 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione is C21H28O5.
What is the molecular weight of 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione?
The molecular weight of 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione is 360.19 g/mol.
Where can I buy 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione?
You can request a quote for 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione?
Yes, KEHONG BIO provides custom synthesis services for 17,21-Dihydroxy-5beta-pregn-2-ene-1,11,20-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.