6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-
TL;DR: 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl- (CAS 153901-45-2) is a chemical compound with molecular formula C18H15ClN4S and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1-methyl-5-methylsulfanyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Also Known As: 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-, 8-Chloro-1-methyl-5-(methylthio)-6-phenyl-6H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 1-Methyl-5-(methylthio)-6-phenyl-8-chloro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 8-chloro-1-methyl-5-methylsulfanyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 12-chloro-3-methyl-8-(methylsulfanyl)-9-phenyl-2,4,5,9-tetraazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,7,10,12-hexaene
| Molecular Formula | C18H15ClN4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 5.04222 |
| Topological Polar Surface Area | 33.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.0706 |
| Heavy Atoms | 24 |
| Complexity | 933.4468 |
Chemical Identifiers
| CAS Number | 153901-45-2 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(C=C3)Cl)N(C(=C2)SC)C4=CC=CC=C4 |
Product Overview
6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl- (CAS 153901-45-2), with molecular formula C18H15ClN4S and molecular weight 354.07 g/mol. IUPAC: 8-chloro-1-methyl-5-methylsulfanyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine.
Chemical Property Profile of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-
Property Insights of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-
The XLogP value of 5.04222 indicates that 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.95 Ų, 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-?
The CAS number of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl- is 153901-45-2.
What is the molecular formula of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-?
The molecular formula of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl- is C18H15ClN4S.
What is the molecular weight of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-?
The molecular weight of 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl- is 354.07 g/mol.
Where can I buy 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-?
You can request a quote for 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-1-methyl-5-(methylthio)-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.