methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate
TL;DR: methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate (CAS 65828-02-6) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate
Also Known As: methyl 2-cyano-4-methyl-5-phenylpenta-2,4-dienoate, methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.71288 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 492.70352 |
Chemical Identifiers
| CAS Number | 65828-02-6 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C(\C#N)/C(=O)OC |
Product Overview
methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate (CAS 65828-02-6), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate.
Chemical Property Profile of methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate
Property Insights of methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate
The XLogP value of 2.71288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate. With a topological polar surface area (TPSA) of 50.09 Ų, methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate has 0 hydrogen bond donor(s) and 3 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,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate?
The CAS number of methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate is 65828-02-6.
What is the molecular formula of methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate?
The molecular formula of methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate is C14H13NO2.
What is the molecular weight of methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate?
The molecular weight of methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate is 227.09 g/mol.
Where can I buy methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate?
You can request a quote for methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E,4E)-2-cyano-4-methyl-5-phenylpenta-2,4-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.