2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
TL;DR: 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate (CAS 769152-13-8) is a chemical compound with molecular formula C21H15Cl2N3O2S and molecular weight 443.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Also Known As: 2-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE, [2-[[(3-chlorophenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate, 649-272-8, RefChem:452319
| Molecular Formula | C21H15Cl2N3O2S |
|---|---|
| Molecular Weight | 443.03 g/mol |
| LogP | 5.5331 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.0262 |
| Heavy Atoms | 29 |
| Complexity | 1055.8016 |
Chemical Identifiers
| CAS Number | 769152-13-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/NC(=S)NC2=CC(=CC=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate (CAS 769152-13-8), with molecular formula C21H15Cl2N3O2S and molecular weight 443.03 g/mol. IUPAC: [2-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate.
Chemical Property Profile of 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Property Insights of 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
The XLogP value of 5.5331 indicates that 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate. Following Lipinski's Rule of Five, 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
The CAS number of 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is 769152-13-8.
What is the molecular formula of 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
The molecular formula of 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is C21H15Cl2N3O2S.
What is the molecular weight of 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
The molecular weight of 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate is 443.03 g/mol.
Where can I buy 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
You can request a quote for 2-(2-((3-Chloroanilino)carbothioyl)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-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((3-Chloroanilino)carbothioyl)carbohydrazonoyl)phenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.