4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid
TL;DR: 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid (CAS 524731-77-9) is a chemical compound with molecular formula C10H7FN2O5 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluoro-3-nitroanilino)-4-oxobut-2-enoic acid
Also Known As: 4-[(4-fluoro-3-nitrophenyl)amino]-4-oxobut-2-enoic acid, 4-(4-fluoro-3-nitroanilino)-4-oxobut-2-enoic acid, 4-(4-fluoro-3-nitro-anilino)-4-oxo-but-2-enoic acid, (2E)-3-[(4-FLUORO-3-NITROPHENYL)CARBAMOYL]PROP-2-ENOIC ACID
| Molecular Formula | C10H7FN2O5 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 1.3132 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.0339 |
| Heavy Atoms | 18 |
| Complexity | 541.06964 |
Chemical Identifiers
| CAS Number | 524731-77-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)C=CC(=O)O)[N+](=O)[O-])F |
Product Overview
4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid (CAS 524731-77-9), with molecular formula C10H7FN2O5 and molecular weight 254.03 g/mol. IUPAC: 4-(4-fluoro-3-nitroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid
Property Insights of 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid
The XLogP value of 1.3132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 4 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 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid is 524731-77-9.
What is the molecular formula of 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid is C10H7FN2O5.
What is the molecular weight of 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid is 254.03 g/mol.
Where can I buy 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Fluoro-3-nitroanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.