4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)-
TL;DR: 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)- (CAS 85677-76-5) is a chemical compound with molecular formula C22H16Cl2N4OS and molecular weight 454.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-6-(2-chlorophenyl)-1-(furan-2-ylmethylsulfanylmethyl)-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-(((2-furanylmethyl)thio)methyl)-, 8-Chloro-6-(2-chlorophenyl)-1-(2-furfurylthiomethyl)-4H-s-triazolo(4,3-a)-1,4-benzodiazepine, AE-641/30154009, 8-chloro-6-(2-chlorophenyl)-1-(furan-2-ylmethylsulfanylmethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, 8-Chloro-6-(2-chlorophenyl)-1-({[(furan-2-yl)methyl]sulfanyl}methyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
| Molecular Formula | C22H16Cl2N4OS |
|---|---|
| Molecular Weight | 454.04 g/mol |
| LogP | 5.9515 |
| Topological Polar Surface Area | 56.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.04218 |
| Heavy Atoms | 30 |
| Complexity | 1233.9307 |
Chemical Identifiers
| CAS Number | 85677-76-5 |
|---|---|
| SMILES | C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CSCC5=CC=CO5 |
Product Overview
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)- (CAS 85677-76-5), with molecular formula C22H16Cl2N4OS and molecular weight 454.04 g/mol. IUPAC: 8-chloro-6-(2-chlorophenyl)-1-(furan-2-ylmethylsulfanylmethyl)-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-(((2-furanylmethyl)thio)methyl)-
Property Insights of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)-
The XLogP value of 5.9515 indicates that 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.21 Ų, 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)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-(((2-furanylmethyl)thio)methyl)- has 0 hydrogen bond donor(s) and 5 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-(((2-furanylmethyl)thio)methyl)-?
The CAS number of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)- is 85677-76-5.
What is the molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)-?
The molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)- is C22H16Cl2N4OS.
What is the molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)-?
The molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)- is 454.04 g/mol.
Where can I buy 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)methyl)-?
You can request a quote for 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-(((2-furanylmethyl)thio)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-(((2-furanylmethyl)thio)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-(((2-furanylmethyl)thio)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.