![3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid structure](/static/products/6345/634594-83-5.webp)
3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid
TL;DR: 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid (CAS 634594-83-5) is a chemical compound with molecular formula C22H15N3O7 and molecular weight 433.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
Also Known As: 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid, 3-[[(E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid, 3-[[2-cyano-3-[5-(2-methoxy-4-nitro-phenyl)-2-furyl]prop-2-enoyl]amino]benzoic Acid, 3-{2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoic acid, 3-({(E)-2-CYANO-3-[5-(2-METHOXY-4-NITROPHENYL)-2-FURYL]-2-PROPENOYL}AMINO)BENZOIC ACID
| Molecular Formula | C22H15N3O7 |
|---|---|
| Molecular Weight | 433.09 g/mol |
| LogP | 4.10728 |
| Topological Polar Surface Area | 155.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.091 |
| Heavy Atoms | 32 |
| Complexity | 1284.6718 |
Chemical Identifiers
| CAS Number | 634594-83-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid (CAS 634594-83-5), with molecular formula C22H15N3O7 and molecular weight 433.09 g/mol. IUPAC: 3-[[(E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid
Property Insights of 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid
The XLogP value of 4.10728 indicates that 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.7 Ų indicates high polarity, suggesting 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid has 2 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 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid?
The CAS number of 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid is 634594-83-5.
What is the molecular formula of 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid?
The molecular formula of 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid is C22H15N3O7.
What is the molecular weight of 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid?
The molecular weight of 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid is 433.09 g/mol.
Where can I buy 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid?
You can request a quote for 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({(2E)-2-cyano-3-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.