![methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate structure](/static/products/469/469875-67-0.png)
methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate
TL;DR: methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate (CAS 469875-67-0) is a chemical compound with molecular formula C21H19NO5 and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate
Also Known As: (E)-methyl 2-cyano-3-(3-methoxy-4-((3-phenylpropanoyl)oxy)phenyl)acrylate, methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate, methyl (2E)-2-cyano-3-{3-methoxy-4-[(3-phenylpropanoyl)oxy]phenyl}prop-2-enoate
| Molecular Formula | C21H19NO5 |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 3.31338 |
| Topological Polar Surface Area | 85.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.1263 |
| Heavy Atoms | 27 |
| Complexity | 881.1901 |
Chemical Identifiers
| CAS Number | 469875-67-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)OC(=O)CCC2=CC=CC=C2 |
Product Overview
methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate (CAS 469875-67-0), with molecular formula C21H19NO5 and molecular weight 365.13 g/mol. IUPAC: methyl (E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate.
Chemical Property Profile of methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate
Property Insights of methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate
The XLogP value of 3.31338 indicates that methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.62 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate. Following Lipinski's Rule of Five, methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate 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 methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate?
The CAS number of methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate is 469875-67-0.
What is the molecular formula of methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate?
The molecular formula of methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate is C21H19NO5.
What is the molecular weight of methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate?
The molecular weight of methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate is 365.13 g/mol.
Where can I buy methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate?
You can request a quote for methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]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 methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-2-cyano-3-[3-methoxy-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.