![Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate structure](/static/products/5692/5692-21-7.webp)
Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
TL;DR: Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate (CAS 5692-21-7) is a chemical compound with molecular formula C17H15ClN2O3S and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: 2-Benzoylaminoacetamidin, BIM-0029402.P001, propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate, PROPAN-2-YL 5-[(3-CHLOROBENZOYL)AMINO]-4-CYANO-3-METHYL-THIOPHENE-2-CARBOXYLATE, ISOPROPYL 5-[(3-CHLOROBENZOYL)AMINO]-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE
| Molecular Formula | C17H15ClN2O3S |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 4.3991 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.0492 |
| Heavy Atoms | 24 |
| Complexity | 836.84656 |
Chemical Identifiers
| CAS Number | 5692-21-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC(=CC=C2)Cl)C(=O)OC(C)C |
Product Overview
Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate (CAS 5692-21-7), with molecular formula C17H15ClN2O3S and molecular weight 362.05 g/mol. IUPAC: propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Property Insights of Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
The XLogP value of 4.3991 indicates that Propan-2-yl 5-[(3-chlorobenzoyl)amino]-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 Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate has 1 hydrogen bond donor(s) and 5 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 Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
The CAS number of Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate is 5692-21-7.
What is the molecular formula of Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
The molecular formula of Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate is C17H15ClN2O3S.
What is the molecular weight of Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
The molecular weight of Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate is 362.05 g/mol.
Where can I buy Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
You can request a quote for Propan-2-yl 5-[(3-chlorobenzoyl)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 Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 5-[(3-chlorobenzoyl)amino]-4-cyano-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.