5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid
TL;DR: 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid (CAS 196943-45-0) is a chemical compound with molecular formula C11H11ClN2O5 and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloro-5-nitroanilino)-5-oxopentanoic acid
Also Known As: 5-(2-chloro-5-nitroanilino)-5-oxopentanoic acid, 4-[(2-chloro-5-nitro-phenyl)carbamoyl]butanoic Acid, Pentanoic acid, 5-[(2-chloro-5-nitrophenyl)amino]-5-oxo-
| Molecular Formula | C11H11ClN2O5 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 2.4416 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.03564 |
| Heavy Atoms | 19 |
| Complexity | 517.80707 |
Chemical Identifiers
| CAS Number | 196943-45-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)CCCC(=O)O)Cl |
Product Overview
5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid (CAS 196943-45-0), with molecular formula C11H11ClN2O5 and molecular weight 286.04 g/mol. IUPAC: 5-(2-chloro-5-nitroanilino)-5-oxopentanoic acid.
Chemical Property Profile of 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid
Property Insights of 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid
The XLogP value of 2.4416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic 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 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid?
The CAS number of 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid is 196943-45-0.
What is the molecular formula of 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid?
The molecular formula of 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid is C11H11ClN2O5.
What is the molecular weight of 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid?
The molecular weight of 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid is 286.04 g/mol.
Where can I buy 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid?
You can request a quote for 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chloro-5-nitroanilino)-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.