Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate
TL;DR: Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate (CAS 353771-13-8) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-cyano-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
Also Known As: isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate, propan-2-yl 4-cyano-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate, Propan-2-yl 4-cyano-5-(cyclopropanecarbonylamino)-3-methyl-thiophene-2-carboxylate, propan-2-yl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methylthiophene-2-carboxylate
| Molecular Formula | C14H16N2O3S |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 2.8419 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.08817 |
| Heavy Atoms | 20 |
| Complexity | 594.2956 |
Chemical Identifiers
| CAS Number | 353771-13-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2CC2)C(=O)OC(C)C |
Product Overview
Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate (CAS 353771-13-8), with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol. IUPAC: propan-2-yl 4-cyano-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate.
Chemical Property Profile of Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate
Property Insights of Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate
The XLogP value of 2.8419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate 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 Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate?
The CAS number of Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate is 353771-13-8.
What is the molecular formula of Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate?
The molecular formula of Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate is C14H16N2O3S.
What is the molecular weight of Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate?
The molecular weight of Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate is 292.09 g/mol.
Where can I buy Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate?
You can request a quote for Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4-cyano-5-[(cyclopropylcarbonyl)amino]-3-methyl-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.