5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine
TL;DR: 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine (CAS 54028-85-2) is a chemical compound with molecular formula C15H13ClN4S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-4-methyl-1-thiophen-2-yl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Also Known As: 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine, 4H-s-Triazolo(4,3-a)(1,5)benzodiazepine, 5,6-dihydro-9-chloro-4-methyl-1-(2-thienyl)-, 9-Chloro-4-methyl-1-(2-thienyl)-5,6-dihydro-4H-s-triazolo(4,3-a)(1,5)benzodiazepine, 9-Chloro-5,6-dihydro-4-methyl-1-(2-thienyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 9-chloro-4-methyl-1-thiophen-2-yl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
| Molecular Formula | C15H13ClN4S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 4.1782 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.05493 |
| Heavy Atoms | 21 |
| Complexity | 794.11896 |
Chemical Identifiers
| CAS Number | 54028-85-2 |
|---|---|
| SMILES | CC1CNC2=C(C=C(C=C2)Cl)N3C1=NN=C3C4=CC=CS4 |
Product Overview
5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine (CAS 54028-85-2), with molecular formula C15H13ClN4S and molecular weight 316.05 g/mol. IUPAC: 9-chloro-4-methyl-1-thiophen-2-yl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine.
Chemical Property Profile of 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine
Property Insights of 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine
The XLogP value of 4.1782 indicates that 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.74 Ų, 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine has 1 hydrogen bond donor(s) and 4 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 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine?
The CAS number of 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine is 54028-85-2.
What is the molecular formula of 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine?
The molecular formula of 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine is C15H13ClN4S.
What is the molecular weight of 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine?
The molecular weight of 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine is 316.05 g/mol.
Where can I buy 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine?
You can request a quote for 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dihydro-9-chloro-4-methyl-1-(2-thienyl)-4H-s-triazolo(4,3-a)(1,5)benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.