2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
TL;DR: 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate (CAS 1004159-06-1) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
Also Known As: 2-((3-methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate, [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate, F6609-3986, {[(3-methoxyphenyl)methyl]carbamoyl}methyl 3-methylthiophene-2-carboxylate, 2-[(3-methoxybenzyl)amino]-2-oxoethyl 3-methylthiophene-2-carboxylate
Technical Specifications
| Molecular Formula | C16H17NO4S |
| Molecular Weight | 319.08783 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 92.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.08783 Da |
| Heavy Atoms | 22 |
| Complexity | 390.0 |
| SMILES | CC1=C(SC=C1)C(=O)OCC(=O)NCC2=CC(=CC=C2)OC |
| InChIKey | LXXFYNIVAGVBQH-UHFFFAOYSA-N |
Chemical Property Profile of 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
Property Insights of 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
The XLogP value of 3.0 indicates that 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate 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
What is the CAS number of 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate?
The CAS number of 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate is 1004159-06-1.
What is the molecular formula of 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate?
The molecular formula of 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate is C16H17NO4S.
What is the molecular weight of 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate?
The molecular weight of 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate is 319.08783 g/mol.
Where can I buy 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate?
You can request a quote for 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for 2-((3-Methoxybenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.