methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate
TL;DR: methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate (CAS 315670-40-7) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate
Also Known As: methyl 2-cyano-3-[4-(4-morpholinyl)phenyl]acrylate, methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate, methyl (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 1.60318 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 537.2322 |
Chemical Identifiers
| CAS Number | 315670-40-7 |
|---|---|
| SMILES | COC(=O)/C(=C/C1=CC=C(C=C1)N2CCOCC2)/C#N |
Product Overview
methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate (CAS 315670-40-7), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: methyl (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate.
Chemical Property Profile of methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate
Property Insights of methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate
The XLogP value of 1.60318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate. Following Lipinski's Rule of Five, methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate 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 methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate?
The CAS number of methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate is 315670-40-7.
What is the molecular formula of methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate?
The molecular formula of methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate is C15H16N2O3.
What is the molecular weight of methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate?
The molecular weight of methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate is 272.12 g/mol.
Where can I buy methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate?
You can request a quote for methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-2-cyano-3-(4-morpholin-4-ylphenyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.