(2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate
TL;DR: (2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate (CAS 453535-97-2) is a chemical compound with molecular formula C8H9NO3S and molecular weight 199.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-oxoethyl) 3-methylthiophene-2-carboxylate
Also Known As: (2-amino-2-oxoethyl) 3-methylthiophene-2-carboxylate, CARBAMOYLMETHYL 3-METHYLTHIOPHENE-2-CARBOXYLATE, 2-thiophenecarboxylic acid,3-methyl-,2-amino-2-oxoethyl ester, 2-Thiophenecarboxylic acid, 3-methyl-, 2-amino-2-oxoethyl ester (9CI)
| Molecular Formula | C8H9NO3S |
|---|---|
| Molecular Weight | 199.03 g/mol |
| LogP | 0.69862 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.03032 |
| Heavy Atoms | 13 |
| Complexity | 331.88507 |
Chemical Identifiers
| CAS Number | 453535-97-2 |
|---|---|
| SMILES | CC1=C(SC=C1)C(=O)OCC(=O)N |
Product Overview
(2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate (CAS 453535-97-2), with molecular formula C8H9NO3S and molecular weight 199.03 g/mol. IUPAC: (2-amino-2-oxoethyl) 3-methylthiophene-2-carboxylate.
Chemical Property Profile of (2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate
Property Insights of (2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate
The XLogP value of 0.69862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, (2-Amino-2-oxoethyl) 3-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-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate?
The CAS number of (2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate is 453535-97-2.
What is the molecular formula of (2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate?
The molecular formula of (2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate is C8H9NO3S.
What is the molecular weight of (2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate?
The molecular weight of (2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate is 199.03 g/mol.
Where can I buy (2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate?
You can request a quote for (2-Amino-2-oxoethyl) 3-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-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.