2-Fluoro-3-oxoandrostan-17-yl acetate
TL;DR: 2-Fluoro-3-oxoandrostan-17-yl acetate (CAS 1648-61-9) is a chemical compound with molecular formula C21H31FO3 and molecular weight 350.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-fluoro-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) acetate
Also Known As: NCIOpen2_008690, 2-fluoro-3-oxoandrostan-17-yl acetate, (2-fluoro-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) acetate, Androstan-3-one, 17-(acetyloxy)-2-fluoro-, (2alpha,5alpha,17beta)-
| Molecular Formula | C21H31FO3 |
|---|---|
| Molecular Weight | 350.23 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.2257 |
| Heavy Atoms | 25 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 1648-61-9 |
|---|---|
| SMILES | CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC(C(=O)C4)F)C)C |
| InChIKey | WACIVNIHJKQSFP-UHFFFAOYSA-N |
Product Overview
2-Fluoro-3-oxoandrostan-17-yl acetate (CAS 1648-61-9), with molecular formula C21H31FO3 and molecular weight 350.23 g/mol. IUPAC: (2-fluoro-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl) acetate.
Chemical Property Profile of 2-Fluoro-3-oxoandrostan-17-yl acetate
Property Insights of 2-Fluoro-3-oxoandrostan-17-yl acetate
The XLogP value of 4.7 indicates that 2-Fluoro-3-oxoandrostan-17-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Fluoro-3-oxoandrostan-17-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-3-oxoandrostan-17-yl acetate has 0 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 2-Fluoro-3-oxoandrostan-17-yl acetate?
The CAS number of 2-Fluoro-3-oxoandrostan-17-yl acetate is 1648-61-9.
What is the molecular formula of 2-Fluoro-3-oxoandrostan-17-yl acetate?
The molecular formula of 2-Fluoro-3-oxoandrostan-17-yl acetate is C21H31FO3.
What is the molecular weight of 2-Fluoro-3-oxoandrostan-17-yl acetate?
The molecular weight of 2-Fluoro-3-oxoandrostan-17-yl acetate is 350.23 g/mol.
Where can I buy 2-Fluoro-3-oxoandrostan-17-yl acetate?
You can request a quote for 2-Fluoro-3-oxoandrostan-17-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-3-oxoandrostan-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-3-oxoandrostan-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.