2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate
TL;DR: 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate (CAS 885457-82-9) is a chemical compound with molecular formula C17H17NO5 and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-aminobenzoate
Also Known As: 2-Amino-benzoic acid 2-(3,4-dimethoxy-phenyl)-2-oxo-ethyl ester, [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-aminobenzoate, 2-(3,4-DIMETHOXYPHENYL)-2-OXOETHYL 2-AMINOBENZOATE, Ethanone, 2-[(2-aminobenzoyl)oxy]-1-(3,4-dimethoxyphenyl)
| Molecular Formula | C17H17NO5 |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 2.3257 |
| Topological Polar Surface Area | 87.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.1107 |
| Heavy Atoms | 23 |
| Complexity | 726.6737 |
Chemical Identifiers
| CAS Number | 885457-82-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2N)OC |
Product Overview
2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate (CAS 885457-82-9), with molecular formula C17H17NO5 and molecular weight 315.11 g/mol. IUPAC: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-aminobenzoate.
Chemical Property Profile of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate
Property Insights of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate
The XLogP value of 2.3257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate. The TPSA of 87.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate. Following Lipinski's Rule of Five, 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate has 1 hydrogen bond donor(s) and 6 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-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate?
The CAS number of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate is 885457-82-9.
What is the molecular formula of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate?
The molecular formula of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate is C17H17NO5.
What is the molecular weight of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate?
The molecular weight of 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate is 315.11 g/mol.
Where can I buy 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate?
You can request a quote for 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethoxyphenyl)-2-oxoethyl 2-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.