![isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate structure](/static/products/4953/495375-62-7.webp)
isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate
TL;DR: isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate (CAS 495375-62-7) is a chemical compound with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(cyclobutanecarbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Also Known As: isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate, propan-2-yl 2-(cyclobutanecarbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate, Isopropyl 2-(cyclobutanecarboxamido)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate, 2-[(Cyclobutylcarbonyl)amino]-4-methyl-5-[[(2-methylphenyl)amino]carbonyl]-3-thiophenecarboxylic Acid 1-Methylethyl Ester, Isopropyl2-(cyclobutanecarboxamido)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate
| Molecular Formula | C22H26N2O4S |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 4.92104 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.16132 |
| Heavy Atoms | 29 |
| Complexity | 944.28406 |
Chemical Identifiers
| CAS Number | 495375-62-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3CCC3)C(=O)OC(C)C)C |
Product Overview
isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate (CAS 495375-62-7), with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol. IUPAC: propan-2-yl 2-(cyclobutanecarbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate
Property Insights of isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate
The XLogP value of 4.92104 indicates that isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate has 2 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 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
The CAS number of isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is 495375-62-7.
What is the molecular formula of isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
The molecular formula of isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is C22H26N2O4S.
What is the molecular weight of isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
The molecular weight of isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is 414.16 g/mol.
Where can I buy isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
You can request a quote for isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-[(cyclobutylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.