9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine
TL;DR: 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine (CAS 77796-09-9) is a chemical compound with molecular formula C18H15F2N3 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
Also Known As: 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine, 9-fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine, AE-641/30153058, 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-methyl-, 5,6-Dihydro-9-fluoro-6-(4-fluorophenyl)-1-methyl-4H-(1,2,4)triazolo(4,3-a)(1)benzazepine
| Molecular Formula | C18H15F2N3 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 3.93202 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.1234 |
| Heavy Atoms | 23 |
| Complexity | 868.47327 |
Chemical Identifiers
| CAS Number | 77796-09-9 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=CC(=C3)F)C(CC2)C4=CC=C(C=C4)F |
Product Overview
9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine (CAS 77796-09-9), with molecular formula C18H15F2N3 and molecular weight 311.12 g/mol. IUPAC: 9-fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine.
Chemical Property Profile of 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine
Property Insights of 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine
The XLogP value of 3.93202 indicates that 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine has 0 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 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine?
The CAS number of 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine is 77796-09-9.
What is the molecular formula of 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine?
The molecular formula of 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine is C18H15F2N3.
What is the molecular weight of 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine?
The molecular weight of 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine is 311.12 g/mol.
Where can I buy 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine?
You can request a quote for 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine?
Yes, KEHONG BIO provides custom synthesis services for 9-Fluoro-6-(4-fluorophenyl)-1-methyl-5,6-dihydro-4H-s-triazolo(4,3-a)-1-benzazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.