RefChem:296839
TL;DR: RefChem:296839 (CAS 72913-11-2) is a chemical compound with molecular formula C24H18Cl2N4S and molecular weight 464.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzylsulfanylmethyl)-8-chloro-6-(2-chlorophenyl)-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-(((phenylmethyl)thio)methyl)-, AE-641/30154006, 1-(benzylsulfanylmethyl)-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-(benzylthio)methyl-6-(2-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine, 1-[(Benzylsulfanyl)methyl]-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
| Molecular Formula | C24H18Cl2N4S |
|---|---|
| Molecular Weight | 464.06 g/mol |
| LogP | 6.3585 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.06293 |
| Heavy Atoms | 31 |
| Complexity | 1267.8268 |
Chemical Identifiers
| CAS Number | 72913-11-2 |
|---|---|
| SMILES | C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CSCC5=CC=CC=C5 |
Product Overview
RefChem:296839 (CAS 72913-11-2), with molecular formula C24H18Cl2N4S and molecular weight 464.06 g/mol. IUPAC: 1-(benzylsulfanylmethyl)-8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine.
Chemical Property Profile of RefChem:296839
Property Insights of RefChem:296839
The XLogP value of 6.3585 indicates that RefChem:296839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.07 Ų, RefChem:296839 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:296839 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 RefChem:296839?
The CAS number of RefChem:296839 is 72913-11-2.
What is the molecular formula of RefChem:296839?
The molecular formula of RefChem:296839 is C24H18Cl2N4S.
What is the molecular weight of RefChem:296839?
The molecular weight of RefChem:296839 is 464.06 g/mol.
Where can I buy RefChem:296839?
You can request a quote for RefChem:296839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296839?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.