![methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate structure](/static/products/4432/443289-90-5.webp)
methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate
TL;DR: methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate (CAS 443289-90-5) is a chemical compound with molecular formula C16H12BrN3O3S2 and molecular weight 436.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(3-bromobenzoyl)carbamothioylamino]-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate, methyl 5-[(3-bromobenzoyl)carbamothioylamino]-4-cyano-3-methylthiophene-2-carboxylate, Methyl 5-[(3-bromobenzoyl)thiocarbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate, Methyl 5-{[(3-bromobenzoyl)carbamothioyl]amino}-4-cyano-3-methylthiophene-2-carboxylate, methyl 5-({[(3-bromophenyl)carbonylamino]thioxomethyl}amino)-4-cyano-3-methylt hiophene-2-carboxylate
| Molecular Formula | C16H12BrN3O3S2 |
|---|---|
| Molecular Weight | 436.95 g/mol |
| LogP | 3.6041 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.95035 |
| Heavy Atoms | 25 |
| Complexity | 902.51526 |
Chemical Identifiers
| CAS Number | 443289-90-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=CC=C2)Br)C(=O)OC |
Product Overview
methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate (CAS 443289-90-5), with molecular formula C16H12BrN3O3S2 and molecular weight 436.95 g/mol. IUPAC: methyl 5-[(3-bromobenzoyl)carbamothioylamino]-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate
Property Insights of methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate
The XLogP value of 3.6041 indicates that methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate has 2 hydrogen bond donor(s) and 6 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 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate?
The CAS number of methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate is 443289-90-5.
What is the molecular formula of methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate?
The molecular formula of methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate is C16H12BrN3O3S2.
What is the molecular weight of methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate?
The molecular weight of methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate is 436.95 g/mol.
Where can I buy methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate?
You can request a quote for methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-({[(3-bromophenyl)carbonyl]carbamothioyl}amino)-4-cyano-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.