4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate
TL;DR: 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate (CAS 769150-53-0) is a chemical compound with molecular formula C22H17BrClN3O3S and molecular weight 516.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Also Known As: 4-BR-2-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 4-CHLOROBENZOATE, [4-bromo-2-[[(4-methoxyphenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate, 643-796-0, RefChem:518726
| Molecular Formula | C22H17BrClN3O3S |
|---|---|
| Molecular Weight | 516.99 g/mol |
| LogP | 5.6508 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.98627 |
| Heavy Atoms | 31 |
| Complexity | 1105.9889 |
Chemical Identifiers
| CAS Number | 769150-53-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate (CAS 769150-53-0), with molecular formula C22H17BrClN3O3S and molecular weight 516.99 g/mol. IUPAC: [4-bromo-2-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate.
Chemical Property Profile of 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate
Property Insights of 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate
The XLogP value of 5.6508 indicates that 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 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 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate. Following Lipinski's Rule of Five, 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 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 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate?
The CAS number of 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate is 769150-53-0.
What is the molecular formula of 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate?
The molecular formula of 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate is C22H17BrClN3O3S.
What is the molecular weight of 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate?
The molecular weight of 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate is 516.99 g/mol.
Where can I buy 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate?
You can request a quote for 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-BR-2-(2-((4-Methoxyanilino)carbothioyl)carbohydrazonoyl)PH 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.