![Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester structure](/static/products/5019/501945-88-6.webp)
Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester
TL;DR: Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester (CAS 501945-88-6) is a chemical compound with molecular formula C25H18FN3O7 and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-fluorobenzoate
Also Known As: Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester, [4-[2-cyano-2-[(2-methoxy-5-nitro-phenyl)carbamoyl]ethenyl]-2-methoxy-phenyl] 3-fluorobenzoate, [4-[2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-fluorobenzoate
| Molecular Formula | C25H18FN3O7 |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 4.51598 |
| Topological Polar Surface Area | 140.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.11288 |
| Heavy Atoms | 36 |
| Complexity | 1413.0021 |
Chemical Identifiers
| CAS Number | 501945-88-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)F)OC)C#N |
Product Overview
Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester (CAS 501945-88-6), with molecular formula C25H18FN3O7 and molecular weight 491.11 g/mol. IUPAC: [4-[2-cyano-3-(2-methoxy-5-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-fluorobenzoate.
Chemical Property Profile of Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester
Property Insights of Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester
The XLogP value of 4.51598 indicates that Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.79 Ų indicates high polarity, suggesting Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester has 1 hydrogen bond donor(s) and 8 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 Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester?
The CAS number of Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester is 501945-88-6.
What is the molecular formula of Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester?
The molecular formula of Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester is C25H18FN3O7.
What is the molecular weight of Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester?
The molecular weight of Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester is 491.11 g/mol.
Where can I buy Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester?
You can request a quote for Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-fluoro-, 4-[2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.