ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE
TL;DR: ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE (CAS 777872-83-0) is a chemical compound with molecular formula C17H14BrClN2O3S and molecular weight 439.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-[(5-bromo-2-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE, Propan-2-yl 5-[(5-bromo-2-chloro-benzoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate, propan-2-yl 5-[(5-bromo-2-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate, ISOPROPYL 5-[(5-BROMO-2-CHLOROBENZOYL)AMINO]-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE, methylethyl 5-[(5-bromo-2-chlorophenyl)carbonylamino]-4-cyano-3-methylthiophen e-2-carboxylate
| Molecular Formula | C17H14BrClN2O3S |
|---|---|
| Molecular Weight | 439.96 g/mol |
| LogP | 5.1616 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.9597 |
| Heavy Atoms | 25 |
| Complexity | 886.7486 |
Chemical Identifiers
| CAS Number | 777872-83-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=C(C=CC(=C2)Br)Cl)C(=O)OC(C)C |
Product Overview
ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE (CAS 777872-83-0), with molecular formula C17H14BrClN2O3S and molecular weight 439.96 g/mol. IUPAC: propan-2-yl 5-[(5-bromo-2-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE
Property Insights of ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE
The XLogP value of 5.1616 indicates that ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE. Following Lipinski's Rule of Five, ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE?
The CAS number of ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE is 777872-83-0.
What is the molecular formula of ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE?
The molecular formula of ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE is C17H14BrClN2O3S.
What is the molecular weight of ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE?
The molecular weight of ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE is 439.96 g/mol.
Where can I buy ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE?
You can request a quote for ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-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 ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ISOPROPYL 5-(5-BROMO-2-CHLOROBENZAMIDO)-4-CYANO-3-METHYLTHIOPHENE-2-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.