(E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate
TL;DR: (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate (CAS 469872-84-2) is a chemical compound with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoate
Also Known As: (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate, F0889-0018, AS-871/40694276, methyl 2-[[(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoate, METHYL 2-[(2E)-2-CYANO-3-(4-HYDROXYPHENYL)PROP-2-ENAMIDO]BENZOATE
| Molecular Formula | C18H14N2O4 |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.09537 |
| Heavy Atoms | 24 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 469872-84-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(C=C2)O)/C#N |
| InChIKey | OMGYXARDHMFUSZ-JLHYYAGUSA-N |
Product Overview
(E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate (CAS 469872-84-2), with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate
Property Insights of (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate
The XLogP value of 3.3 indicates that (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate. Following Lipinski's Rule of Five, (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate has 2 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 (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate?
The CAS number of (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate is 469872-84-2.
What is the molecular formula of (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate?
The molecular formula of (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate is C18H14N2O4.
What is the molecular weight of (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate?
The molecular weight of (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate is 322.10 g/mol.
Where can I buy (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate?
You can request a quote for (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.