Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate
TL;DR: Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate (CAS 6279-74-9) is a chemical compound with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate
Also Known As: ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate, 3',5'-Dinitro-2'-hydroxyacetanilide
| Molecular Formula | C15H16N2O4 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.111 |
| Heavy Atoms | 21 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 6279-74-9 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(C#N)C1=CC(=C(C=C1)OC)OC |
| InChIKey | MABKLJOAFUUOFK-UHFFFAOYSA-N |
Product Overview
Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate (CAS 6279-74-9), with molecular formula C15H16N2O4 and molecular weight 288.11 g/mol. IUPAC: ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate.
Chemical Property Profile of Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate
Property Insights of Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate has 0 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 Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate?
The CAS number of Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate is 6279-74-9.
What is the molecular formula of Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate?
The molecular formula of Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate is C15H16N2O4.
What is the molecular weight of Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate?
The molecular weight of Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate is 288.11 g/mol.
Where can I buy Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate?
You can request a quote for Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate 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-dicyano-3-(3,4-dimethoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,3-dicyano-3-(3,4-dimethoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.