4-Nitro-3-hexanol
TL;DR: 4-Nitro-3-hexanol (CAS 59232-99-4) is a chemical compound with molecular formula C6H13NO3 and molecular weight 147.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrohexan-3-ol
Also Known As: 4-nitrohexan-3-ol, 4-NITRO-3-HEXANOL, 3-nitro-4-hexanol, 3-Hexanol, 4-nitro-, 4-hydroxy-3-nitrohexane
| Molecular Formula | C6H13NO3 |
|---|---|
| Molecular Weight | 147.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.08954 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 59232-99-4 |
|---|---|
| SMILES | CCC(C(CC)O)[N+](=O)[O-] |
| InChIKey | XIXNQTGGBNDDMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitro-3-hexanol (CAS 59232-99-4), with molecular formula C6H13NO3 and molecular weight 147.09 g/mol. IUPAC: 4-nitrohexan-3-ol.
Chemical Property Profile of 4-Nitro-3-hexanol
Property Insights of 4-Nitro-3-hexanol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-3-hexanol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-3-hexanol. Following Lipinski's Rule of Five, 4-Nitro-3-hexanol has 1 hydrogen bond donor(s) and 3 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-Nitro-3-hexanol?
The CAS number of 4-Nitro-3-hexanol is 59232-99-4.
What is the molecular formula of 4-Nitro-3-hexanol?
The molecular formula of 4-Nitro-3-hexanol is C6H13NO3.
What is the molecular weight of 4-Nitro-3-hexanol?
The molecular weight of 4-Nitro-3-hexanol is 147.09 g/mol.
Where can I buy 4-Nitro-3-hexanol?
You can request a quote for 4-Nitro-3-hexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-3-hexanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-3-hexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.