ChemDiv1_027454
TL;DR: ChemDiv1_027454 (CAS 311783-85-4) is a chemical compound with molecular formula C24H21N5O2S and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: ChemDiv1_027454, 2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1H-benzimidazole, 2-(([5-(3,4-Dimethoxyphenyl)-4-phenyl-4h-1,2,4-triazol-3-yl]thio)methyl)-1h-benzimidazole, AB00109649-01, A1494/0065571
| Molecular Formula | C24H21N5O2S |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 5.1201 |
| Topological Polar Surface Area | 77.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.1416 |
| Heavy Atoms | 32 |
| Complexity | 1330.6125 |
Chemical Identifiers
| CAS Number | 311783-85-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5N4)OC |
Product Overview
ChemDiv1_027454 (CAS 311783-85-4), with molecular formula C24H21N5O2S and molecular weight 443.14 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of ChemDiv1_027454
Property Insights of ChemDiv1_027454
The XLogP value of 5.1201 indicates that ChemDiv1_027454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027454. Following Lipinski's Rule of Five, ChemDiv1_027454 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_027454?
The CAS number of ChemDiv1_027454 is 311783-85-4.
What is the molecular formula of ChemDiv1_027454?
The molecular formula of ChemDiv1_027454 is C24H21N5O2S.
What is the molecular weight of ChemDiv1_027454?
The molecular weight of ChemDiv1_027454 is 443.14 g/mol.
Where can I buy ChemDiv1_027454?
You can request a quote for ChemDiv1_027454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027454?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.