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Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate
TL;DR: Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate (CAS 328286-99-3) is a chemical compound with molecular formula C19H21NO5 and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
Also Known As: ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate, AO-548/40327144, ethyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate, ethyl 2-(2-(3,4-dimethoxyphenyl)acetamido)benzoate, ethyl 2-[2-(3,4-dimethoxyphenyl)acetylamino]benzoate
| Molecular Formula | C19H21NO5 |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.14197 |
| Heavy Atoms | 25 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 328286-99-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)CC2=CC(=C(C=C2)OC)OC |
| InChIKey | XRLNMUMJUHUOPY-UHFFFAOYSA-N |
Product Overview
Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate (CAS 328286-99-3), with molecular formula C19H21NO5 and molecular weight 343.14 g/mol. IUPAC: ethyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate
Property Insights of Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate
The XLogP value of 3.4 indicates that Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate has 1 hydrogen bond donor(s) and 5 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 Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate?
The CAS number of Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate is 328286-99-3.
What is the molecular formula of Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate?
The molecular formula of Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate is C19H21NO5.
What is the molecular weight of Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate?
The molecular weight of Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate is 343.14 g/mol.
Where can I buy Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate?
You can request a quote for Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.