2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
TL;DR: 2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate (CAS 733013-19-9) is a chemical compound with molecular formula C16H17NO3S and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
Also Known As: starbld0001822, 2-((4-methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate, {[(4-methylphenyl)methyl]carbamoyl}methyl 3-methylthiophene-2-carboxylate, F6609-3982, [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
| Molecular Formula | C16H17NO3S |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 2.83814 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.09293 |
| Heavy Atoms | 21 |
| Complexity | 631.22656 |
Chemical Identifiers
| CAS Number | 733013-19-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(C=CS2)C |
Product Overview
2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate (CAS 733013-19-9), with molecular formula C16H17NO3S and molecular weight 303.09 g/mol. IUPAC: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate.
Chemical Property Profile of 2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
Property Insights of 2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
The XLogP value of 2.83814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Methylbenzyl)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-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate?
The CAS number of 2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate is 733013-19-9.
What is the molecular formula of 2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate?
The molecular formula of 2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate is C16H17NO3S.
What is the molecular weight of 2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate?
The molecular weight of 2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate is 303.09 g/mol.
Where can I buy 2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate?
You can request a quote for 2-((4-Methylbenzyl)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-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methylbenzyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.