![methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate structure](/static/products/3011/30117-17-0.webp)
methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate
TL;DR: methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate (CAS 30117-17-0) is a chemical compound with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate
Also Known As: methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate, methyl 4-[[(3-acetamidophenyl)-ethyl-amino]methyl]benzoate, Methyl 4-{[(3-acetamidophenyl)(ethyl)amino]methyl}benzoate
| Molecular Formula | C19H22N2O3 |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.16306 |
| Heavy Atoms | 24 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 30117-17-0 |
|---|---|
| SMILES | CCN(CC1=CC=C(C=C1)C(=O)OC)C2=CC=CC(=C2)NC(=O)C |
| InChIKey | IQLJPOUMHFHAMU-UHFFFAOYSA-N |
Product Overview
methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate (CAS 30117-17-0), with molecular formula C19H22N2O3 and molecular weight 326.16 g/mol. IUPAC: methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate.
Chemical Property Profile of methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate
Property Insights of methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate. With a topological polar surface area (TPSA) of 58.6 Ų, methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate 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 methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate?
The CAS number of methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate is 30117-17-0.
What is the molecular formula of methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate?
The molecular formula of methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate is C19H22N2O3.
What is the molecular weight of methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate?
The molecular weight of methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate is 326.16 g/mol.
Where can I buy methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate?
You can request a quote for methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(3-acetamido-N-ethylanilino)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.