![[4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate structure](/static/products/769/769151-79-3.png)
[4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate
TL;DR: [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate (CAS 769151-79-3) is a chemical compound with molecular formula C21H16BrN3O2S and molecular weight 453.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate
Also Known As: 2-(2-(anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl benzoate, [4-bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate, [4-bromo-2-[(phenylthiocarbamoylhydrazinylidene)methyl]phenyl] Benzoate
| Molecular Formula | C21H16BrN3O2S |
|---|---|
| Molecular Weight | 453.01 g/mol |
| LogP | 4.9888 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.01465 |
| Heavy Atoms | 28 |
| Complexity | 995.04724 |
Chemical Identifiers
| CAS Number | 769151-79-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3=CC=CC=C3 |
Product Overview
[4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate (CAS 769151-79-3), with molecular formula C21H16BrN3O2S and molecular weight 453.01 g/mol. IUPAC: [4-bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate.
Chemical Property Profile of [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate
Property Insights of [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate
The XLogP value of 4.9888 indicates that [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate 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-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate. Following Lipinski's Rule of Five, [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate has 2 hydrogen bond donor(s) and 4 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 [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate?
The CAS number of [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate is 769151-79-3.
What is the molecular formula of [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate?
The molecular formula of [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate is C21H16BrN3O2S.
What is the molecular weight of [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate?
The molecular weight of [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate is 453.01 g/mol.
Where can I buy [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate?
You can request a quote for [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-Bromo-2-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.