(E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate
TL;DR: (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate (CAS 326018-34-2) is a chemical compound with molecular formula C22H15N3O6 and molecular weight 417.10 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-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate
Also Known As: (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate, F0020-2042, METHYL 2-[(2E)-2-CYANO-3-[5-(3-NITROPHENYL)FURAN-2-YL]PROP-2-ENAMIDO]BENZOATE, methyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate, methyl 2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoate
| Molecular Formula | C22H15N3O6 |
|---|---|
| Molecular Weight | 417.10 g/mol |
| LogP | 4.18708 |
| Topological Polar Surface Area | 135.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.0961 |
| Heavy Atoms | 31 |
| Complexity | 1235.7933 |
Chemical Identifiers
| CAS Number | 326018-34-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C#N |
Product Overview
(E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate (CAS 326018-34-2), with molecular formula C22H15N3O6 and molecular weight 417.10 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate
Property Insights of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate
The XLogP value of 4.18708 indicates that (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate. Following Lipinski's Rule of Five, (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate has 1 hydrogen bond donor(s) and 7 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-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate?
The CAS number of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate is 326018-34-2.
What is the molecular formula of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate?
The molecular formula of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate is C22H15N3O6.
What is the molecular weight of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate?
The molecular weight of (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate is 417.10 g/mol.
Where can I buy (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate?
You can request a quote for (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-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-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.