3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl-
TL;DR: 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl- (CAS 70437-50-2) is a chemical compound with molecular formula C16H14ClN3S and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine
Also Known As: 7-Chloro-3-methyl-2-methylthio-5-phenyl-3H-1,3,4-benzotriazepine, 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl-, 7-Chloro-3-methyl-2-(methylsulfanyl)-5-phenyl-3H-1,3,4-benzotriazepine, 7-chloro-3-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine, 2-(Methylthio)-7-chloro-3-methyl-5-phenyl-3H-1,3,4-benzotriazepine
| Molecular Formula | C16H14ClN3S |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.0597 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 70437-50-2 |
|---|---|
| SMILES | CN1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)SC |
| InChIKey | DWWQYFYFCXEJII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl- (CAS 70437-50-2), with molecular formula C16H14ClN3S and molecular weight 315.06 g/mol. IUPAC: 7-chloro-3-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine.
Chemical Property Profile of 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl-
Property Insights of 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl-
The XLogP value of 4.7 indicates that 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl- 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 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl-?
The CAS number of 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl- is 70437-50-2.
What is the molecular formula of 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl-?
The molecular formula of 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl- is C16H14ClN3S.
What is the molecular weight of 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl-?
The molecular weight of 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl- is 315.06 g/mol.
Where can I buy 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl-?
You can request a quote for 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,3,4-Benzotriazepine, 7-chloro-3-methyl-2-(methylthio)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.