![2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate structure](/static/products/4000/400035-63-4.webp)
2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate
TL;DR: 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate (CAS 400035-63-4) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylanilino)-2-oxoethyl] 3-methylbenzoate
Also Known As: 2-oxo-2-(p-tolylamino)ethyl 3-methylbenzoate, [2-(4-methylanilino)-2-oxoethyl] 3-methylbenzoate, 2-[(4-methylphenyl)amino]-2-oxoethyl 3-methylbenzoate
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 3.09894 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 647.3397 |
Chemical Identifiers
| CAS Number | 400035-63-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC(=C2)C |
Product Overview
2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate (CAS 400035-63-4), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: [2-(4-methylanilino)-2-oxoethyl] 3-methylbenzoate.
Chemical Property Profile of 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate
Property Insights of 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate
The XLogP value of 3.09894 indicates that 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate 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-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate has 1 hydrogen bond donor(s) and 3 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-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate?
The CAS number of 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate is 400035-63-4.
What is the molecular formula of 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate?
The molecular formula of 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate is C17H17NO3.
What is the molecular weight of 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate?
The molecular weight of 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate is 283.12 g/mol.
Where can I buy 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate?
You can request a quote for 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylphenyl)amino]-2-oxoethyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.