4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate
TL;DR: 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate (CAS 769152-38-7) is a chemical compound with molecular formula C22H18BrN3O2S and molecular weight 467.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-bromobenzoate
Also Known As: 4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE, [4-[[(3-methylphenyl)thiocarbamoylhydrazinylidene]methyl]phenyl] 2-bromobenzoate, 649-247-1, RefChem:511715
| Molecular Formula | C22H18BrN3O2S |
|---|---|
| Molecular Weight | 467.03 g/mol |
| LogP | 5.29722 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.0303 |
| Heavy Atoms | 29 |
| Complexity | 1051.9329 |
Chemical Identifiers
| CAS Number | 769152-38-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br |
Product Overview
4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate (CAS 769152-38-7), with molecular formula C22H18BrN3O2S and molecular weight 467.03 g/mol. IUPAC: [4-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 2-bromobenzoate.
Chemical Property Profile of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate
Property Insights of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate
The XLogP value of 5.29722 indicates that 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate 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 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate. Following Lipinski's Rule of Five, 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate 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 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate?
The CAS number of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate is 769152-38-7.
What is the molecular formula of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate?
The molecular formula of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate is C22H18BrN3O2S.
What is the molecular weight of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate?
The molecular weight of 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate is 467.03 g/mol.
Where can I buy 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate?
You can request a quote for 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(3-Toluidinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.