17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one
TL;DR: 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one (CAS 5452-87-9) is a chemical compound with molecular formula C21H32O2 and molecular weight 316.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13-tetramethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: Androst-5-en-3-one,4-dimethyl, 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one, Androst-5-en-3-one,4-dimethyl-, U-5526, J2.793.674A
| Molecular Formula | C21H32O2 |
|---|---|
| Molecular Weight | 316.24 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 316.24023 |
| Heavy Atoms | 23 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 5452-87-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CCC(=O)C4(C)C)C |
| InChIKey | YTYDBCHHXXGVEN-KUJXMBTLSA-N |
Product Overview
17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one (CAS 5452-87-9), with molecular formula C21H32O2 and molecular weight 316.24 g/mol. IUPAC: (8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13-tetramethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one
Property Insights of 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one
The XLogP value of 4.1 indicates that 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one has 1 hydrogen bond donor(s) and 2 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 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one?
The CAS number of 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one is 5452-87-9.
What is the molecular formula of 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one?
The molecular formula of 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one is C21H32O2.
What is the molecular weight of 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one?
The molecular weight of 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one is 316.24 g/mol.
Where can I buy 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one?
You can request a quote for 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.