4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)-
TL;DR: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)- (CAS 85677-80-1) is a chemical compound with molecular formula C23H22Cl2N4S and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-6-(2-chlorophenyl)-1-(cyclohexylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Also Known As: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)-, AE-641/30154044, 8-chloro-6-(2-chlorophenyl)-1-(cyclohexylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, [8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl cyclohexyl sulfide, 8-Chloro-6-(2-chlorophenyl)-1-[(cyclohexylsulfanyl)methyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
| Molecular Formula | C23H22Cl2N4S |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 6.491 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.09424 |
| Heavy Atoms | 30 |
| Complexity | 1102.3326 |
Chemical Identifiers
| CAS Number | 85677-80-1 |
|---|---|
| SMILES | C1CCC(CC1)SCC2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=NC3)C5=CC=CC=C5Cl |
Product Overview
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)- (CAS 85677-80-1), with molecular formula C23H22Cl2N4S and molecular weight 456.09 g/mol. IUPAC: 8-chloro-6-(2-chlorophenyl)-1-(cyclohexylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine.
Chemical Property Profile of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)-
Property Insights of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)-
The XLogP value of 6.491 indicates that 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.07 Ų, 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)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)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)- 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 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)-?
The CAS number of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)- is 85677-80-1.
What is the molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)-?
The molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)- is C23H22Cl2N4S.
What is the molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)-?
The molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)- is 456.09 g/mol.
Where can I buy 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)-?
You can request a quote for 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)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)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((cyclohexylthio)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.