17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione
TL;DR: 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione (CAS 13656-78-5) is a chemical compound with molecular formula C22H32O3 and molecular weight 344.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,8S,10S,13S,14S,16S,17R)-17-acetyl-17-hydroxy-10,13,16-trimethyl-2,4,5,6,7,8,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: KST-1A1228, 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione, 17-Hydroxy-16-methylpregn-9(11)-ene-3,20-dione, (5, A,16
| Molecular Formula | C22H32O3 |
|---|---|
| Molecular Weight | 344.24 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.23514 |
| Heavy Atoms | 25 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 13656-78-5 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C3=CC[C@@]2([C@]1(C(=O)C)O)C)C |
| InChIKey | SYVXMCCIFBTGFR-RJZNOWKXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione (CAS 13656-78-5), with molecular formula C22H32O3 and molecular weight 344.24 g/mol. IUPAC: (5R,8S,10S,13S,14S,16S,17R)-17-acetyl-17-hydroxy-10,13,16-trimethyl-2,4,5,6,7,8,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione
Property Insights of 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione
The XLogP value of 3.0 indicates that 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione has 1 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 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione?
The CAS number of 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione is 13656-78-5.
What is the molecular formula of 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione?
The molecular formula of 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione is C22H32O3.
What is the molecular weight of 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione?
The molecular weight of 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione is 344.24 g/mol.
Where can I buy 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione?
You can request a quote for 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.