3'-Nitroglutaranilic acid
TL;DR: 3'-Nitroglutaranilic acid (CAS 25901-27-3) 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-(3-nitroanilino)-5-oxopentanoic acid
Also Known As: 4-[(3-nitrophenyl)carbamoyl]butanoic Acid, 3'-nitroglutaranilic acid, 5-(3-nitroanilino)-5-oxopentanoic acid, LABOTEST-BB LT00154602, 5-((3-Nitrophenyl)amino)-5-oxopentanoic acid
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 25901-27-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=O)O |
| InChIKey | NZLOFCLTCZFBJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Nitroglutaranilic acid (CAS 25901-27-3), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: 5-(3-nitroanilino)-5-oxopentanoic acid.
Chemical Property Profile of 3'-Nitroglutaranilic acid
Property Insights of 3'-Nitroglutaranilic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Nitroglutaranilic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Nitroglutaranilic acid. Following Lipinski's Rule of Five, 3'-Nitroglutaranilic 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 3'-Nitroglutaranilic acid?
The CAS number of 3'-Nitroglutaranilic acid is 25901-27-3.
What is the molecular formula of 3'-Nitroglutaranilic acid?
The molecular formula of 3'-Nitroglutaranilic acid is C11H12N2O5.
What is the molecular weight of 3'-Nitroglutaranilic acid?
The molecular weight of 3'-Nitroglutaranilic acid is 252.07 g/mol.
Where can I buy 3'-Nitroglutaranilic acid?
You can request a quote for 3'-Nitroglutaranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Nitroglutaranilic acid?
Yes, KEHONG BIO provides custom synthesis services for 3'-Nitroglutaranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.