(E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid
TL;DR: (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid (CAS 413604-05-4) is a chemical compound with molecular formula C10H7ClN2O5 and molecular weight 270.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid
Also Known As: (2Z)-3-[(4-chloro-3-nitrophenyl)carbamoyl]prop-2-enoic acid, 4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid, (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid, 3-[(4-chloro-3-nitrophenyl)carbamoyl]prop-2-enoic acid, (E)-4-(4-chloro-3-nitro-anilino)-4-oxo-but-2-enoic acid
| Molecular Formula | C10H7ClN2O5 |
|---|---|
| Molecular Weight | 270.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.00436 |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 413604-05-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)/C=C/C(=O)O)[N+](=O)[O-])Cl |
| InChIKey | OZZUVTAMUUOPOJ-ONEGZZNKSA-N |
Product Overview
(E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid (CAS 413604-05-4), with molecular formula C10H7ClN2O5 and molecular weight 270.00 g/mol. IUPAC: (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid
Property Insights of (E)-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 (E)-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 (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-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
Frequently Asked Questions
What is the CAS number of (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid?
The CAS number of (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid is 413604-05-4.
What is the molecular formula of (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid is C10H7ClN2O5.
What is the molecular weight of (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid is 270.00 g/mol.
Where can I buy (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-(4-chloro-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 (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(4-chloro-3-nitroanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.