2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
TL;DR: 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate (CAS 769153-95-9) is a chemical compound with molecular formula C23H20ClN3O3S and molecular weight 453.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Also Known As: 2-METHOXY-4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE, [2-methoxy-4-[[(3-methylphenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate, 650-301-1, RefChem:474311
| Molecular Formula | C23H20ClN3O3S |
|---|---|
| Molecular Weight | 453.09 g/mol |
| LogP | 5.19672 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.0914 |
| Heavy Atoms | 31 |
| Complexity | 1134.5544 |
Chemical Identifiers
| CAS Number | 769153-95-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC |
Product Overview
2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate (CAS 769153-95-9), with molecular formula C23H20ClN3O3S and molecular weight 453.09 g/mol. IUPAC: [2-methoxy-4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate.
Chemical Property Profile of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
Property Insights of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
The XLogP value of 5.19672 indicates that 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-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-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-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-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
The CAS number of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate is 769153-95-9.
What is the molecular formula of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
The molecular formula of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate is C23H20ClN3O3S.
What is the molecular weight of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
The molecular weight of 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate is 453.09 g/mol.
Where can I buy 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
You can request a quote for 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-(2-(3-toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.