Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate
TL;DR: Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate (CAS 352548-64-2) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate
Also Known As: ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate, AH-262/12745006, ethyl 3-amino-4-[(benzylamino)carbonyl]-5-methyl-2-thiophenecarboxylate
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 2.74542 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 680.1994 |
Chemical Identifiers
| CAS Number | 352548-64-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)C)C(=O)NCC2=CC=CC=C2)N |
Product Overview
Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate (CAS 352548-64-2), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate
Property Insights of Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate
The XLogP value of 2.74542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-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 Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate?
The CAS number of Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate is 352548-64-2.
What is the molecular formula of Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate?
The molecular formula of Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate is C16H18N2O3S.
What is the molecular weight of Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate?
The molecular weight of Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate is 318.10 g/mol.
Where can I buy Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate?
You can request a quote for Ethyl 3-amino-4-(benzylcarbamoyl)-5-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 Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-4-(benzylcarbamoyl)-5-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.