![[2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate structure](/static/products/796/796998-68-0.png)
[2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
TL;DR: [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CAS 796998-68-0) is a chemical compound with molecular formula C9H11NO3S and molecular weight 213.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
Also Known As: Methylcarbamoylmethyl 5-methylthiophene-2-carboxylate, (methylcarbamoyl)methyl 5-methylthiophene-2-carboxylate, 2-Thiophenecarboxylicacid,5-methyl-,2- -2-oxoethylester, [2-(methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 5-methyl-, 2-(methylamino)-2-oxoethyl ester (9CI)
| Molecular Formula | C9H11NO3S |
|---|---|
| Molecular Weight | 213.05 g/mol |
| LogP | 0.95932 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.04596 |
| Heavy Atoms | 14 |
| Complexity | 345.5812 |
Chemical Identifiers
| CAS Number | 796998-68-0 |
|---|---|
| SMILES | CC1=CC=C(S1)C(=O)OCC(=O)NC |
Product Overview
[2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CAS 796998-68-0), with molecular formula C9H11NO3S and molecular weight 213.05 g/mol. IUPAC: [2-(methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.
Chemical Property Profile of [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
Property Insights of [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
The XLogP value of 0.95932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The CAS number of [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is 796998-68-0.
What is the molecular formula of [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The molecular formula of [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is C9H11NO3S.
What is the molecular weight of [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The molecular weight of [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is 213.05 g/mol.
Where can I buy [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
You can request a quote for [2-(Methylamino)-2-oxoethyl] 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 [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(Methylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.