![(2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid structure](/static/products/5651/565191-96-0.webp)
(2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid
TL;DR: (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid (CAS 565191-96-0) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid
Also Known As: 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid, (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid, 3-(4-Cyanomethoxy-3-methoxy-phenyl)-acrylic acid, (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid, 3-(4-(Cyanomethoxy)-3-methoxyphenyl)acrylic acid
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.69538 |
| Topological Polar Surface Area | 79.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 473.88425 |
Chemical Identifiers
| CAS Number | 565191-96-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)O)OCC#N |
Product Overview
(2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid (CAS 565191-96-0), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid
Property Insights of (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid
The XLogP value of 1.69538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid. The TPSA of 79.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 4 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 (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid?
The CAS number of (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid is 565191-96-0.
What is the molecular formula of (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid?
The molecular formula of (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid is C12H11NO4.
What is the molecular weight of (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid?
The molecular weight of (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid is 233.07 g/mol.
Where can I buy (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid?
You can request a quote for (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.