3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate
TL;DR: 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate (CAS 764656-93-1) is a chemical compound with molecular formula C22H18ClN3O3S and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Also Known As: 3-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATE, [3-[[(3-chlorophenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate, 643-543-4, RefChem:490233
| Molecular Formula | C22H18ClN3O3S |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 4.8883 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.07574 |
| Heavy Atoms | 30 |
| Complexity | 1071.2328 |
Chemical Identifiers
| CAS Number | 764656-93-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=S)NC3=CC(=CC=C3)Cl |
Product Overview
3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate (CAS 764656-93-1), with molecular formula C22H18ClN3O3S and molecular weight 439.08 g/mol. IUPAC: [3-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate.
Chemical Property Profile of 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate
Property Insights of 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate
The XLogP value of 4.8883 indicates that 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate 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 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate. Following Lipinski's Rule of Five, 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate has 2 hydrogen bond donor(s) and 5 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 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate?
The CAS number of 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate is 764656-93-1.
What is the molecular formula of 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate?
The molecular formula of 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate is C22H18ClN3O3S.
What is the molecular weight of 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate?
The molecular weight of 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate is 439.08 g/mol.
Where can I buy 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate?
You can request a quote for 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.