4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one
TL;DR: 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one (CAS 800-06-6) is a chemical compound with molecular formula C20H28F2O2 and molecular weight 338.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17S)-4,4-difluoro-17-hydroxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one, J2.790.701F, 4,4-Difluoro-17-hydroxy-17-methylandrost-5-en-3-one, 4,4-Difluoro-17beta-hydroxy-17-methylandrosta-5-ene-3-one, 4,4-Difluoro-17beta-hydroxy-17alpha-methylandrost-5-en-3-one
| Molecular Formula | C20H28F2O2 |
|---|---|
| Molecular Weight | 338.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 338.20575 |
| Heavy Atoms | 24 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 800-06-6 |
|---|---|
| SMILES | C[C@]12CCC(=O)C(C1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)(F)F |
| InChIKey | XRZWBBRIKOQLPC-TULRTYAESA-N |
Product Overview
4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one (CAS 800-06-6), with molecular formula C20H28F2O2 and molecular weight 338.21 g/mol. IUPAC: (8R,9S,10R,13S,14S,17S)-4,4-difluoro-17-hydroxy-10,13,17-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one
Property Insights of 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one
The XLogP value of 3.9 indicates that 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-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, 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one has 1 hydrogen bond donor(s) and 4 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 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one?
The CAS number of 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one is 800-06-6.
What is the molecular formula of 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one?
The molecular formula of 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one is C20H28F2O2.
What is the molecular weight of 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one?
The molecular weight of 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one is 338.21 g/mol.
Where can I buy 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one?
You can request a quote for 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-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 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.