![methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate structure](/static/products/314/314067-95-3.png)
methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
TL;DR: methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate (CAS 314067-95-3) is a chemical compound with molecular formula C25H21ClN4O3S and molecular weight 492.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate
Also Known As: methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate, methyl 4-[(1Z)-2-(2-{1-[(4-chlorophenyl)methyl]benzimidazol-2-ylthio}acetylami no)-2-azavinyl]benzoate, methyl 4-[(Z)-[[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate
| Molecular Formula | C25H21ClN4O3S |
|---|---|
| Molecular Weight | 492.10 g/mol |
| LogP | 4.767 |
| Topological Polar Surface Area | 85.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.1023 |
| Heavy Atoms | 34 |
| Complexity | 1334.797 |
Chemical Identifiers
| CAS Number | 314067-95-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N\NC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl |
Product Overview
methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate (CAS 314067-95-3), with molecular formula C25H21ClN4O3S and molecular weight 492.10 g/mol. IUPAC: methyl 4-[(Z)-[[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Property Insights of methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
The XLogP value of 4.767 indicates that methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.58 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate. Following Lipinski's Rule of Five, methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate 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 methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate?
The CAS number of methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate is 314067-95-3.
What is the molecular formula of methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate?
The molecular formula of methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate is C25H21ClN4O3S.
What is the molecular weight of methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate?
The molecular weight of methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate is 492.10 g/mol.
Where can I buy methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate?
You can request a quote for methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{(E)-[2-({[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.