3-Hydroxy-16-sulfanylpregn-5-en-20-one
TL;DR: 3-Hydroxy-16-sulfanylpregn-5-en-20-one (CAS 2188-68-3) is a chemical compound with molecular formula C21H32O2S and molecular weight 348.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Also Known As: Lycorine hydrochloride, 3-hydroxy-16-sulfanylpregn-5-en-20-one, 1-(10,13-dimethyl-3-oxidanyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone, 1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone, 1-(3-hydroxy-16-mercapto-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
| Molecular Formula | C21H32O2S |
|---|---|
| Molecular Weight | 348.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.2123 |
| Heavy Atoms | 24 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 2188-68-3 |
|---|---|
| SMILES | CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)S |
| InChIKey | HTBOVUXSVLNKHT-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-16-sulfanylpregn-5-en-20-one (CAS 2188-68-3), with molecular formula C21H32O2S and molecular weight 348.21 g/mol. IUPAC: 1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-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-Hydroxy-16-sulfanylpregn-5-en-20-one
Property Insights of 3-Hydroxy-16-sulfanylpregn-5-en-20-one
The XLogP value of 4.0 indicates that 3-Hydroxy-16-sulfanylpregn-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 38.3 Ų, 3-Hydroxy-16-sulfanylpregn-5-en-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-16-sulfanylpregn-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-Hydroxy-16-sulfanylpregn-5-en-20-one?
The CAS number of 3-Hydroxy-16-sulfanylpregn-5-en-20-one is 2188-68-3.
What is the molecular formula of 3-Hydroxy-16-sulfanylpregn-5-en-20-one?
The molecular formula of 3-Hydroxy-16-sulfanylpregn-5-en-20-one is C21H32O2S.
What is the molecular weight of 3-Hydroxy-16-sulfanylpregn-5-en-20-one?
The molecular weight of 3-Hydroxy-16-sulfanylpregn-5-en-20-one is 348.21 g/mol.
Where can I buy 3-Hydroxy-16-sulfanylpregn-5-en-20-one?
You can request a quote for 3-Hydroxy-16-sulfanylpregn-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-Hydroxy-16-sulfanylpregn-5-en-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-16-sulfanylpregn-5-en-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.