![[4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate structure](/static/products/769/769151-90-8.png)
[4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
TL;DR: [4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate (CAS 769151-90-8) 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-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Also Known As: 4-(2-(anilinocarbothioyl)carbohydrazonoyl)phenyl 2-bromobenzoate, [4-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate, [4-[(phenylthiocarbamoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
| 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 | 992.04724 |
Chemical Identifiers
| CAS Number | 769151-90-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br |
Product Overview
[4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate (CAS 769151-90-8), with molecular formula C21H16BrN3O2S and molecular weight 453.01 g/mol. IUPAC: [4-[(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate.
Chemical Property Profile of [4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Property Insights of [4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
The XLogP value of 4.9888 indicates that [4-[(Phenylcarbamothioylhydrazinylidene)methyl]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-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate. Following Lipinski's Rule of Five, [4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate 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-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate?
The CAS number of [4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate is 769151-90-8.
What is the molecular formula of [4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate?
The molecular formula of [4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate is C21H16BrN3O2S.
What is the molecular weight of [4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate?
The molecular weight of [4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate is 453.01 g/mol.
Where can I buy [4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate?
You can request a quote for [4-[(Phenylcarbamothioylhydrazinylidene)methyl]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-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(Phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.