(E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate
TL;DR: (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate (CAS 469872-85-3) is a chemical compound with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoate
Also Known As: (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate, AB01325508-02, F0889-0020, METHYL 2-[(2E)-2-CYANO-3-(5-METHYLFURAN-2-YL)PROP-2-ENAMIDO]BENZOATE, methyl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoate
| Molecular Formula | C17H14N2O4 |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.09537 |
| Heavy Atoms | 23 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 469872-85-3 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)OC |
| InChIKey | AMRPKPIGRBBHAK-FMIVXFBMSA-N |
Product Overview
(E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate (CAS 469872-85-3), with molecular formula C17H14N2O4 and molecular weight 310.10 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate
Property Insights of (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate
The XLogP value of 3.0 indicates that (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate. Following Lipinski's Rule of Five, (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate has 1 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-(5-methylfuran-2-yl)acrylamido)benzoate?
The CAS number of (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate is 469872-85-3.
What is the molecular formula of (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate?
The molecular formula of (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate is C17H14N2O4.
What is the molecular weight of (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate?
The molecular weight of (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate is 310.10 g/mol.
Where can I buy (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate?
You can request a quote for (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)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-(5-methylfuran-2-yl)acrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.