4-硝基己酸
TL;DR: 4-硝基己酸 (CAS 63301-57-5) is a chemical compound with molecular formula C6H11NO4 and molecular weight 161.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基己酸
4-nitrohexanoic acid
Also Known As: 4-nitrohexanoic acid, 4-Nitro-hexansaeure, 4-nitro-hexanoic acid, Hexanoic acid, 4-nitro-
| Molecular Formula | C6H11NO4 |
|---|---|
| Molecular Weight | 161.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 161.0688 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 63301-57-5 |
|---|---|
| SMILES | CCC(CCC(=O)O)[N+](=O)[O-] |
| InChIKey | QKOABJZSJDIUKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基己酸 (CAS 63301-57-5), with molecular formula C6H11NO4 and molecular weight 161.07 g/mol. IUPAC: 4-nitrohexanoic acid.
Chemical Property Profile of 4-硝基己酸
Property Insights of 4-硝基己酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基己酸. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基己酸. Following Lipinski's Rule of Five, 4-硝基己酸 has 1 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-硝基己酸?
The CAS number of 4-硝基己酸 is 63301-57-5.
What is the molecular formula of 4-硝基己酸?
The molecular formula of 4-硝基己酸 is C6H11NO4.
What is the molecular weight of 4-硝基己酸?
The molecular weight of 4-硝基己酸 is 161.07 g/mol.
Where can I buy 4-硝基己酸?
You can request a quote for 4-硝基己酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基己酸?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基己酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.