2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
TL;DR: 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate (CAS 769153-97-1) is a chemical compound with molecular formula C24H22ClN3O3S and molecular weight 467.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Also Known As: 2-ETHOXY-4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE, [2-ethoxy-4-[[(3-methylphenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate, 650-302-7, RefChem:471555
| Molecular Formula | C24H22ClN3O3S |
|---|---|
| Molecular Weight | 467.11 g/mol |
| LogP | 5.58682 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.10703 |
| Heavy Atoms | 32 |
| Complexity | 1133.5883 |
Chemical Identifiers
| CAS Number | 769153-97-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=N/NC(=S)NC2=CC=CC(=C2)C)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate (CAS 769153-97-1), with molecular formula C24H22ClN3O3S and molecular weight 467.11 g/mol. IUPAC: [2-ethoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate.
Chemical Property Profile of 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Property Insights of 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
The XLogP value of 5.58682 indicates that 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate. Following Lipinski's Rule of Five, 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
The CAS number of 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is 769153-97-1.
What is the molecular formula of 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
The molecular formula of 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is C24H22ClN3O3S.
What is the molecular weight of 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
The molecular weight of 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is 467.11 g/mol.
Where can I buy 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
You can request a quote for 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.