Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate
TL;DR: Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate (CAS 893754-84-2) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate
Also Known As: propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate, 1-Methylethyl 2-cyano-3-(2,4-dimethoxyphenyl)-2-propenoate
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 2.56238 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 555.4822 |
Chemical Identifiers
| CAS Number | 893754-84-2 |
|---|---|
| SMILES | CC(C)OC(=O)C(=CC1=C(C=C(C=C1)OC)OC)C#N |
Product Overview
Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate (CAS 893754-84-2), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate
Property Insights of Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate
The XLogP value of 2.56238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate. The TPSA of 68.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate. Following Lipinski's Rule of Five, Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate has 0 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 Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate?
The CAS number of Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate is 893754-84-2.
What is the molecular formula of Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate?
The molecular formula of Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate is C15H17NO4.
What is the molecular weight of Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate?
The molecular weight of Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate is 275.12 g/mol.
Where can I buy Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate?
You can request a quote for Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.