4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid
TL;DR: 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid (CAS 1383931-94-9) is a chemical compound with molecular formula C10H7ClN2O5 and molecular weight 270.00436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid
Also Known As: 4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid, (2Z)-3-[(4-chloro-3-nitrophenyl)carbamoyl]prop-2-enoic acid, 3-[(4-chloro-3-nitrophenyl)carbamoyl]prop-2-enoic acid, 3-[(4-chloro-3-nitro-phenyl)carbamoyl]prop-2-enoic Acid, (2Z)-3-[(4-Chloro-3-nitrophenyl)-carbamoyl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C10H7ClN2O5 |
| Molecular Weight | 270.00436 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.00436 Da |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
| SMILES | C1=CC(=C(C=C1NC(=O)C=CC(=O)O)[N+](=O)[O-])Cl |
| InChIKey | OZZUVTAMUUOPOJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid
Property Insights of 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid is 1383931-94-9.
What is the molecular formula of 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid is C10H7ClN2O5.
What is the molecular weight of 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid is 270.00436 g/mol.
Where can I buy 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Chloro-3-nitroanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.