6-Nitro-4-oxohexanoic acid
TL;DR: 6-Nitro-4-oxohexanoic acid (CAS 98196-97-5) is a chemical compound with molecular formula C6H9NO5 and molecular weight 175.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-4-oxohexanoic acid
Also Known As: 6-nitro-4-oxohexanoic acid, 6-nitro-4-oxo-hexanoic acid, 4-Oxo-6-nitrohexanoic acid, hexanoic acid, 6-nitro-4-oxo-, J1.428.471K
| Molecular Formula | C6H9NO5 |
|---|---|
| Molecular Weight | 175.05 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 175.04807 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 98196-97-5 |
|---|---|
| SMILES | C(CC(=O)O)C(=O)CC[N+](=O)[O-] |
| InChIKey | XIILZEKSMDUWKM-UHFFFAOYSA-N |
Product Overview
6-Nitro-4-oxohexanoic acid (CAS 98196-97-5), with molecular formula C6H9NO5 and molecular weight 175.05 g/mol. IUPAC: 6-nitro-4-oxohexanoic acid.
Chemical Property Profile of 6-Nitro-4-oxohexanoic acid
Property Insights of 6-Nitro-4-oxohexanoic acid
The XLogP value of -0.9 indicates that 6-Nitro-4-oxohexanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-4-oxohexanoic acid. Following Lipinski's Rule of Five, 6-Nitro-4-oxohexanoic acid has 1 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 6-Nitro-4-oxohexanoic acid?
The CAS number of 6-Nitro-4-oxohexanoic acid is 98196-97-5.
What is the molecular formula of 6-Nitro-4-oxohexanoic acid?
The molecular formula of 6-Nitro-4-oxohexanoic acid is C6H9NO5.
What is the molecular weight of 6-Nitro-4-oxohexanoic acid?
The molecular weight of 6-Nitro-4-oxohexanoic acid is 175.05 g/mol.
Where can I buy 6-Nitro-4-oxohexanoic acid?
You can request a quote for 6-Nitro-4-oxohexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-4-oxohexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-4-oxohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.