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[2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
TL;DR: [2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CAS 387854-76-4) 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-(3-methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
Also Known As: 2-oxo-2-(m-tolylamino)ethyl 5-methylthiophene-2-carboxylate, [2-(3-methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate, [(3-METHYLPHENYL)CARBAMOYL]METHYL 5-METHYLTHIOPHENE-2-CARBOXYLATE, F6609-4101, 2-[(3-methylphenyl)amino]-2-oxoethyl 5-methylthiophene-2-carboxylate
| 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 | 633.5538 |
Chemical Identifiers
| CAS Number | 387854-76-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=C(S2)C |
Product Overview
[2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate (CAS 387854-76-4), with molecular formula C15H15NO3S and molecular weight 289.08 g/mol. IUPAC: [2-(3-methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate.
Chemical Property Profile of [2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
Property Insights of [2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
The XLogP value of 3.16044 indicates that [2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate 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-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(3-Methylanilino)-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-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The CAS number of [2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is 387854-76-4.
What is the molecular formula of [2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The molecular formula of [2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is C15H15NO3S.
What is the molecular weight of [2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
The molecular weight of [2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate is 289.08 g/mol.
Where can I buy [2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
You can request a quote for [2-(3-Methylanilino)-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-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(3-Methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.