RefChem:512923
TL;DR: RefChem:512923 (CAS 578735-97-4) is a chemical compound with molecular formula C23H20N6OS and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: 4-[3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(3-pyridinyl)-4H-1,2,4-triazol-4-yl]phenyl ethyl ether, 2-(((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 1-[3-(benzimidazol-2-ylmethylthio)-5-(3-pyridyl)(1,2,4-triazol-4-yl)]-4-ethoxy benzene, 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole, 2-({[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-1,3-benzodiazole
| Molecular Formula | C23H20N6OS |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 4.8966 |
| Topological Polar Surface Area | 81.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.14194 |
| Heavy Atoms | 31 |
| Complexity | 1263.9257 |
Chemical Identifiers
| CAS Number | 578735-97-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CN=CC=C5 |
Product Overview
RefChem:512923 (CAS 578735-97-4), with molecular formula C23H20N6OS and molecular weight 428.14 g/mol. IUPAC: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of RefChem:512923
Property Insights of RefChem:512923
The XLogP value of 4.8966 indicates that RefChem:512923 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.51 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:512923. Following Lipinski's Rule of Five, RefChem:512923 has 1 hydrogen bond donor(s) and 6 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:512923?
The CAS number of RefChem:512923 is 578735-97-4.
What is the molecular formula of RefChem:512923?
The molecular formula of RefChem:512923 is C23H20N6OS.
What is the molecular weight of RefChem:512923?
The molecular weight of RefChem:512923 is 428.14 g/mol.
Where can I buy RefChem:512923?
You can request a quote for RefChem:512923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:512923?
Yes, KEHONG BIO provides custom synthesis services for RefChem:512923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.