![methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate structure](/static/products/5164/516458-16-5.webp)
methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate
TL;DR: methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate (CAS 516458-16-5) is a chemical compound with molecular formula C17H16BrN3O3S and molecular weight 421.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[[(2-bromobenzoyl)amino]carbamothioylamino]phenyl]acetate
Also Known As: methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate, methyl 2-(4-(2-(2-bromobenzoyl)hydrazinecarbothioamido)phenyl)acetate, methyl 2-[4-[[(2-bromobenzoyl)amino]carbamothioylamino]phenyl]acetate, methyl 2-{4-[({[(2-bromophenyl)carbonylamino]amino}thioxomethyl)amino]phenyl}a cetate
| Molecular Formula | C17H16BrN3O3S |
|---|---|
| Molecular Weight | 421.01 g/mol |
| LogP | 2.796 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.00958 |
| Heavy Atoms | 25 |
| Complexity | 780.96246 |
Chemical Identifiers
| CAS Number | 516458-16-5 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2Br |
Product Overview
methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate (CAS 516458-16-5), with molecular formula C17H16BrN3O3S and molecular weight 421.01 g/mol. IUPAC: methyl 2-[4-[[(2-bromobenzoyl)amino]carbamothioylamino]phenyl]acetate.
Chemical Property Profile of methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate
Property Insights of methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate
The XLogP value of 2.796 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate. Following Lipinski's Rule of Five, methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate has 3 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 methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate?
The CAS number of methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate is 516458-16-5.
What is the molecular formula of methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate?
The molecular formula of methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate is C17H16BrN3O3S.
What is the molecular weight of methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate?
The molecular weight of methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate is 421.01 g/mol.
Where can I buy methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate?
You can request a quote for methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {4-[({2-[(2-bromophenyl)carbonyl]hydrazinyl}carbonothioyl)amino]phenyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.