4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid
TL;DR: 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid (CAS 413604-04-3) is a chemical compound with molecular formula C10H9ClN2O5 and molecular weight 272.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-3-nitroanilino)-4-oxobutanoic acid
Also Known As: ASISCHEMD13239, ASISCHEM D13239, 4-(4-chloro-3-nitroanilino)-4-oxobutanoic acid, 1-diacetoxymethyl-2,4,6-trimethylbenzene, N-(4-Chloro-3-nitrophenyl)succinamic acid
| Molecular Formula | C10H9ClN2O5 |
|---|---|
| Molecular Weight | 272.02 g/mol |
| LogP | 2.0515 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.02 |
| Heavy Atoms | 18 |
| Complexity | 503.04144 |
Chemical Identifiers
| CAS Number | 413604-04-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CCC(=O)O)[N+](=O)[O-])Cl |
Product Overview
4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid (CAS 413604-04-3), with molecular formula C10H9ClN2O5 and molecular weight 272.02 g/mol. IUPAC: 4-(4-chloro-3-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid
Property Insights of 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid
The XLogP value of 2.0515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic 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-Chloro-3-nitroanilino)-4-oxobutanoic acid?
The CAS number of 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid is 413604-04-3.
What is the molecular formula of 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid?
The molecular formula of 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid is C10H9ClN2O5.
What is the molecular weight of 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid?
The molecular weight of 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid is 272.02 g/mol.
Where can I buy 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid?
You can request a quote for 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic 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-Chloro-3-nitroanilino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-3-nitroanilino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.