3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one
TL;DR: 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one (CAS 13900-61-3) is a chemical compound with molecular formula C22H34O3 and molecular weight 346.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 17a-hydroxy-16b-methylpregnenolone, 17alpha-hydroxy-16beta-methylpregnenolone, 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one, 3,17-Dihydroxy-16-methylpregn-5-en-20-one, 3beta,17-Dihydroxy-16beta-methylpregn-5-en-20-one
| Molecular Formula | C22H34O3 |
|---|---|
| Molecular Weight | 346.25 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.2508 |
| Heavy Atoms | 25 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 13900-61-3 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)O |
| InChIKey | MDCCMZGGNCMFPQ-RGEWOSBMSA-N |
Product Overview
3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one (CAS 13900-61-3), with molecular formula C22H34O3 and molecular weight 346.25 g/mol. IUPAC: 1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-dihydroxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one
Property Insights of 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one
The XLogP value of 3.3 indicates that 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-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-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-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-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one?
The CAS number of 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one is 13900-61-3.
What is the molecular formula of 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one?
The molecular formula of 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one is C22H34O3.
What is the molecular weight of 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one?
The molecular weight of 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one is 346.25 g/mol.
Where can I buy 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one?
You can request a quote for 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-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-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one?
Yes, KEHONG BIO provides custom synthesis services for 3-beta,17-alpha-Dihydroxy-16-beta-methylpregn-5-en-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.