2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate
TL;DR: 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate (CAS 391263-67-5) is a chemical compound with molecular formula C15H15NO3S and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,6-dimethylanilino)-2-oxoethyl] thiophene-2-carboxylate
Also Known As: BAS 13107947, 2-(2,6-dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate, [2-(2,6-dimethylanilino)-2-oxoethyl] thiophene-2-carboxylate, 2-[(2,6-dimethylphenyl)amino]-2-oxoethyl thiophene-2-carboxylate, Thiophene-2-carboxylic acid (2,6-dimethyl-phenylcarbamoyl)-methyl ester
| Molecular Formula | C15H15NO3S |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 3.16044 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.07727 |
| Heavy Atoms | 20 |
| Complexity | 599.8038 |
Chemical Identifiers
| CAS Number | 391263-67-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=CS2 |
Product Overview
2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate (CAS 391263-67-5), with molecular formula C15H15NO3S and molecular weight 289.08 g/mol. IUPAC: [2-(2,6-dimethylanilino)-2-oxoethyl] thiophene-2-carboxylate.
Chemical Property Profile of 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate
Property Insights of 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate
The XLogP value of 3.16044 indicates that 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate 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-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate?
The CAS number of 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate is 391263-67-5.
What is the molecular formula of 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate?
The molecular formula of 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate is C15H15NO3S.
What is the molecular weight of 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate?
The molecular weight of 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate is 289.08 g/mol.
Where can I buy 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate?
You can request a quote for 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,6-Dimethylanilino)-2-oxoethyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.