isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate
TL;DR: isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate (CAS 445008-59-3) is a chemical compound with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(furan-2-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Also Known As: isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate, propan-2-yl 2-(furan-2-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate, isopropyl 2-(furan-2-carboxamido)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate, ISOPROPYL 2-[(2-FURYLCARBONYL)AMINO]-4-METHYL-5-(2-TOLUIDINOCARBONYL)-3-THIOPHENECARBOXYLATE, propan-2-yl 2-[(furan-2-ylcarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
| Molecular Formula | C22H22N2O5S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 5.02774 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.12494 |
| Heavy Atoms | 30 |
| Complexity | 1083.1505 |
Chemical Identifiers
| CAS Number | 445008-59-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC=CO3)C(=O)OC(C)C)C |
Product Overview
isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate (CAS 445008-59-3), with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol. IUPAC: propan-2-yl 2-(furan-2-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate
Property Insights of isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate
The XLogP value of 5.02774 indicates that isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.64 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
The CAS number of isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is 445008-59-3.
What is the molecular formula of isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
The molecular formula of isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is C22H22N2O5S.
What is the molecular weight of isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
The molecular weight of isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate is 426.12 g/mol.
Where can I buy isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
You can request a quote for isopropyl 2-(2-furoylamino)-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-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-(2-furoylamino)-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.