RefChem:1071753
TL;DR: RefChem:1071753 (CAS 117267-50-2) is a chemical compound with molecular formula C20H15ClN6 and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-1-(5-methyl-1H-imidazol-4-yl)-6-phenyl-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-1-(5-methyl-1H-imidazol-4-yl)-6-phenyl-, 8-Chloro-1-(5-methyl-4-imidazolyl)-6-phenyl-4H-s-triazolo(4,3-a)-1,4-benzodiazepine, AE-641/30155041, 8-Chloro-1-(5-methyl-1H-imidazol-4-yl)-6-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine, (1E)-8-chloro-1-(5-methylimidazol-4-ylidene)-6-phenyl-2,4-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
| Molecular Formula | C20H15ClN6 |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 3.97022 |
| Topological Polar Surface Area | 71.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.10468 |
| Heavy Atoms | 27 |
| Complexity | 1172.4175 |
Chemical Identifiers
| CAS Number | 117267-50-2 |
|---|---|
| SMILES | CC1=C(N=CN1)C2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=NC3)C5=CC=CC=C5 |
Product Overview
RefChem:1071753 (CAS 117267-50-2), with molecular formula C20H15ClN6 and molecular weight 374.10 g/mol. IUPAC: 8-chloro-1-(5-methyl-1H-imidazol-4-yl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine.
Chemical Property Profile of RefChem:1071753
Property Insights of RefChem:1071753
The XLogP value of 3.97022 indicates that RefChem:1071753 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.75 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071753. Following Lipinski's Rule of Five, RefChem:1071753 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 RefChem:1071753?
The CAS number of RefChem:1071753 is 117267-50-2.
What is the molecular formula of RefChem:1071753?
The molecular formula of RefChem:1071753 is C20H15ClN6.
What is the molecular weight of RefChem:1071753?
The molecular weight of RefChem:1071753 is 374.10 g/mol.
Where can I buy RefChem:1071753?
You can request a quote for RefChem:1071753 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071753?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071753 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.