3,19-Dihydroxypregn-5-en-20-one
TL;DR: 3,19-Dihydroxypregn-5-en-20-one (CAS 4777-62-2) is a chemical compound with molecular formula C21H32O3 and molecular weight 332.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-hydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 19-Hydroxypregnenolone, 3,19-dihydroxypregn-5-en-20-one, NCIOpen2_009410, 1-[(8S,9S,10S,13S,14S,17S)-3-hydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone, 1-[3-hydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
| Molecular Formula | C21H32O3 |
|---|---|
| Molecular Weight | 332.24 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.23514 |
| Heavy Atoms | 24 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 4777-62-2 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)CO)C |
| InChIKey | OZDXQAGUBNCANU-UHFFFAOYSA-N |
Product Overview
3,19-Dihydroxypregn-5-en-20-one (CAS 4777-62-2), with molecular formula C21H32O3 and molecular weight 332.24 g/mol. IUPAC: 1-[3-hydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 3,19-Dihydroxypregn-5-en-20-one
Property Insights of 3,19-Dihydroxypregn-5-en-20-one
The XLogP value of 3.0 indicates that 3,19-Dihydroxypregn-5-en-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3,19-Dihydroxypregn-5-en-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,19-Dihydroxypregn-5-en-20-one has 2 hydrogen bond donor(s) and 3 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 3,19-Dihydroxypregn-5-en-20-one?
The CAS number of 3,19-Dihydroxypregn-5-en-20-one is 4777-62-2.
What is the molecular formula of 3,19-Dihydroxypregn-5-en-20-one?
The molecular formula of 3,19-Dihydroxypregn-5-en-20-one is C21H32O3.
What is the molecular weight of 3,19-Dihydroxypregn-5-en-20-one?
The molecular weight of 3,19-Dihydroxypregn-5-en-20-one is 332.24 g/mol.
Where can I buy 3,19-Dihydroxypregn-5-en-20-one?
You can request a quote for 3,19-Dihydroxypregn-5-en-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,19-Dihydroxypregn-5-en-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3,19-Dihydroxypregn-5-en-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.