2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate
TL;DR: 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate (CAS 769151-68-0) is a chemical compound with molecular formula C21H15BrClN3O2S and molecular weight 486.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
Also Known As: SALOR-INT L390364-1EA, 2-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 2-CHLOROBENZOATE, [4-bromo-2-[(phenylthiocarbamoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate, 649-678-5, RefChem:453063
| Molecular Formula | C21H15BrClN3O2S |
|---|---|
| Molecular Weight | 486.98 g/mol |
| LogP | 5.6422 |
| Topological Polar Surface Area | 62.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.97568 |
| Heavy Atoms | 29 |
| Complexity | 1060.8016 |
Chemical Identifiers
| CAS Number | 769151-68-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl |
Product Overview
2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate (CAS 769151-68-0), with molecular formula C21H15BrClN3O2S and molecular weight 486.98 g/mol. IUPAC: [4-bromo-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate.
Chemical Property Profile of 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate
Property Insights of 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate
The XLogP value of 5.6422 indicates that 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate 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 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate 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 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate?
The CAS number of 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate is 769151-68-0.
What is the molecular formula of 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate?
The molecular formula of 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate is C21H15BrClN3O2S.
What is the molecular weight of 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate?
The molecular weight of 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate is 486.98 g/mol.
Where can I buy 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate?
You can request a quote for 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 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-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.