4'-Nitroglutaranilic acid
TL;DR: 4'-Nitroglutaranilic acid (CAS 5502-64-7) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-nitroanilino)-5-oxopentanoic acid
Also Known As: 4-[(4-nitrophenyl)carbamoyl]butanoic Acid, CBKinase1_000366, CBKinase1_012766, 4'-NITROGLUTARANILIC ACID, Glutaranilic acid, 4'-nitro-
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.7882 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 455.00632 |
Chemical Identifiers
| CAS Number | 5502-64-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CCCC(=O)O)[N+](=O)[O-] |
Product Overview
4'-Nitroglutaranilic acid (CAS 5502-64-7), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: 5-(4-nitroanilino)-5-oxopentanoic acid.
Chemical Property Profile of 4'-Nitroglutaranilic acid
Property Insights of 4'-Nitroglutaranilic acid
The XLogP value of 1.7882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Nitroglutaranilic acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Nitroglutaranilic acid. Following Lipinski's Rule of Five, 4'-Nitroglutaranilic 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'-Nitroglutaranilic acid?
The CAS number of 4'-Nitroglutaranilic acid is 5502-64-7.
What is the molecular formula of 4'-Nitroglutaranilic acid?
The molecular formula of 4'-Nitroglutaranilic acid is C11H12N2O5.
What is the molecular weight of 4'-Nitroglutaranilic acid?
The molecular weight of 4'-Nitroglutaranilic acid is 252.07 g/mol.
Where can I buy 4'-Nitroglutaranilic acid?
You can request a quote for 4'-Nitroglutaranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Nitroglutaranilic acid?
Yes, KEHONG BIO provides custom synthesis services for 4'-Nitroglutaranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.