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Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate
TL;DR: Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate (CAS 40657-18-9) is a chemical compound with molecular formula C15H21NO5 and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-(2,3-dimethoxyphenyl)ethylamino]-3-oxopropanoate
Also Known As: ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate, ethyl 3-[2-(2,3-dimethoxyphenyl)ethylamino]-3-oxopropanoate, 2,8-Dimethoxy-1,2,3,4,6,7,11b,12-octahydrodibenzo
| Molecular Formula | C15H21NO5 |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 295.14197 |
| Heavy Atoms | 21 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 40657-18-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NCCC1=C(C(=CC=C1)OC)OC |
| InChIKey | YBYSQDCQWXAOOQ-UHFFFAOYSA-N |
Product Overview
Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate (CAS 40657-18-9), with molecular formula C15H21NO5 and molecular weight 295.14 g/mol. IUPAC: ethyl 3-[2-(2,3-dimethoxyphenyl)ethylamino]-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate
Property Insights of Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate 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 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate?
The CAS number of Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate is 40657-18-9.
What is the molecular formula of Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate?
The molecular formula of Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate is C15H21NO5.
What is the molecular weight of Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate?
The molecular weight of Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate is 295.14 g/mol.
Where can I buy Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate?
You can request a quote for Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-{[2-(2,3-dimethoxyphenyl)ethyl]amino}-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.