4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)-
TL;DR: 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)- (CAS 77796-12-4) is a chemical compound with molecular formula C19H17F2N3S and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-fluoro-6-(4-fluorophenyl)-1-(methylsulfanylmethyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
Also Known As: 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)-, 9-fluoro-6-(4-fluorophenyl)-1-(methylsulfanylmethyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine, 9-Fluoro-6-(4-fluorophenyl)-1-[(methylsulfanyl)methyl]-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine, BRN 4565503, RefChem:296823
| Molecular Formula | C19H17F2N3S |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 4.4866 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.1111 |
| Heavy Atoms | 25 |
| Complexity | 905.5327 |
Chemical Identifiers
| CAS Number | 77796-12-4 |
|---|---|
| SMILES | CSCC1=NN=C2N1C3=C(C=CC(=C3)F)C(CC2)C4=CC=C(C=C4)F |
Product Overview
4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)- (CAS 77796-12-4), with molecular formula C19H17F2N3S and molecular weight 357.11 g/mol. IUPAC: 9-fluoro-6-(4-fluorophenyl)-1-(methylsulfanylmethyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine.
Chemical Property Profile of 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)-
Property Insights of 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)-
The XLogP value of 4.4866 indicates that 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)- has 0 hydrogen bond donor(s) and 3 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 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)-?
The CAS number of 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)- is 77796-12-4.
What is the molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)-?
The molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)- is C19H17F2N3S.
What is the molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)-?
The molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)- is 357.11 g/mol.
Where can I buy 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)-?
You can request a quote for 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-(1,2,4)Triazolo(4,3-a)(1)benzazepine, 5,6-dihydro-9-fluoro-6-(4-fluorophenyl)-1-((methylthio)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.