2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)-
TL;DR: 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)- (CAS 77796-17-9) is a chemical compound with molecular formula C16H13F2NS and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepine-2-thione
Also Known As: 8-Fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-thione, 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)-, 1,3,4,5-Tetrahydro-8-fluoro-3-(4-fluorophenyl)-2H-1-benzazepine-2-thione, 8-Fluoro-5-(4-fluorophenyl)-4,5-dihydro-3H-1-benzazepine-2-thiol, 8-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepine-2-thione
| Molecular Formula | C16H13F2NS |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 4.6298 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.07367 |
| Heavy Atoms | 20 |
| Complexity | 652.0265 |
Chemical Identifiers
| CAS Number | 77796-17-9 |
|---|---|
| SMILES | C1CC(=S)NC2=C(C1C3=CC=C(C=C3)F)C=CC(=C2)F |
Product Overview
2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)- (CAS 77796-17-9), with molecular formula C16H13F2NS and molecular weight 289.07 g/mol. IUPAC: 8-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepine-2-thione.
Chemical Property Profile of 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)-
Property Insights of 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)-
The XLogP value of 4.6298 indicates that 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)- has 1 hydrogen bond donor(s) and 1 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 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)-?
The CAS number of 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)- is 77796-17-9.
What is the molecular formula of 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)-?
The molecular formula of 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)- is C16H13F2NS.
What is the molecular weight of 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)-?
The molecular weight of 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)- is 289.07 g/mol.
Where can I buy 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)-?
You can request a quote for 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzazepine-2-thione, 1,3,4,5-tetrahydro-8-fluoro-3-(4-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.