(20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3)
TL;DR: (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3) (CAS 74373-63-0) is a chemical compound with molecular formula C23H32O5 and molecular weight 388.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,3'-oxirane]-2'-yl]methyl acetate
Also Known As: (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3), 11-Hydroxy-3-oxo-17,20-epoxypregn-4-en-21-yl acetate, 11beta-Hydroxy-3-oxo-17alpha-17,20-epoxypregn-4-en-21-yl acetate, [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,3'-oxirane]-2'-yl]methyl acetate, sodium,6-methyl-2-[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonate
| Molecular Formula | C23H32O5 |
|---|---|
| Molecular Weight | 388.22 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.22498 |
| Heavy Atoms | 28 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 74373-63-0 |
|---|---|
| SMILES | CC(=O)OCC1[C@@]2(O1)CC[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)O)C |
| InChIKey | KNXNDGHPTWDHLL-MUUYPGLKSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3) (CAS 74373-63-0), with molecular formula C23H32O5 and molecular weight 388.22 g/mol. IUPAC: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,3'-oxirane]-2'-yl]methyl acetate.
Chemical Property Profile of (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3)
Property Insights of (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3). The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3). Following Lipinski's Rule of Five, (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3) 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 (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3)?
The CAS number of (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3) is 74373-63-0.
What is the molecular formula of (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3)?
The molecular formula of (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3) is C23H32O5.
What is the molecular weight of (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3)?
The molecular weight of (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3) is 388.22 g/mol.
Where can I buy (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3)?
You can request a quote for (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3)?
Yes, KEHONG BIO provides custom synthesis services for (20R)-17.20.21-Trihydroxy-pregnen-(4)-on-(3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.