Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate
TL;DR: Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate (CAS 303141-28-8) is a chemical compound with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate
Also Known As: ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate, ethyl 2-benzamido-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate, ethyl 4-methyl-5-[(4-methylphenyl)carbamoyl]-2-[(phenylcarbonyl)amino]thiophene-3-carboxylate
| Molecular Formula | C23H22N2O4S |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 5.04624 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.13004 |
| Heavy Atoms | 30 |
| Complexity | 1072.5875 |
Chemical Identifiers
| CAS Number | 303141-28-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3 |
Product Overview
Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate (CAS 303141-28-8), with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol. IUPAC: ethyl 2-benzamido-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate
Property Insights of Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate
The XLogP value of 5.04624 indicates that Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate 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 Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate has 2 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 Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate?
The CAS number of Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate is 303141-28-8.
What is the molecular formula of Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate is C23H22N2O4S.
What is the molecular weight of Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate is 422.13 g/mol.
Where can I buy Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(benzoylamino)-4-methyl-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.