RefChem:325834
TL;DR: RefChem:325834 (CAS 87236-36-0) is a chemical compound with molecular formula C22H18ClN5S and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazol-3-ium chloride
Also Known As: Benzimidazole, 2-(((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)methyl)-, hydrochloride, 2-(((4,5-Diphenyl-4H-1,2,4-triazol-3-yl)thio)methyl)benzimidazole hydrochloride, 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazol-3-ium chloride, RefChem:325834
| Molecular Formula | C22H18ClN5S |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 1.53 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.09714 |
| Heavy Atoms | 29 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 87236-36-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=[NH+]C5=CC=CC=C5N4.[Cl-] |
| InChIKey | RGSBOTFFJGYTIM-UHFFFAOYSA-N |
Product Overview
RefChem:325834 (CAS 87236-36-0), with molecular formula C22H18ClN5S and molecular weight 419.10 g/mol. IUPAC: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazol-3-ium chloride.
Chemical Property Profile of RefChem:325834
Property Insights of RefChem:325834
The XLogP value of 1.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:325834. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:325834. Following Lipinski's Rule of Five, RefChem:325834 has 2 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:325834?
The CAS number of RefChem:325834 is 87236-36-0.
What is the molecular formula of RefChem:325834?
The molecular formula of RefChem:325834 is C22H18ClN5S.
What is the molecular weight of RefChem:325834?
The molecular weight of RefChem:325834 is 419.10 g/mol.
Where can I buy RefChem:325834?
You can request a quote for RefChem:325834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:325834?
Yes, KEHONG BIO provides custom synthesis services for RefChem:325834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.