2-Octanol, 1-nitro-
TL;DR: 2-Octanol, 1-nitro- (CAS 2224-39-7) is a chemical compound with molecular formula C8H17NO3 and molecular weight 175.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrooctan-2-ol
Also Known As: 1-Nitro-2-octanol, 1-nitrooctan-2-ol, 2-Octanol, 1-nitro-, 2-hydroxynitro octane, 1-nitro-octan-2-ol
| Molecular Formula | C8H17NO3 |
|---|---|
| Molecular Weight | 175.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 175.12085 |
| Heavy Atoms | 12 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 2224-39-7 |
|---|---|
| SMILES | CCCCCCC(C[N+](=O)[O-])O |
| InChIKey | UHUZCPVKBAPSSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Octanol, 1-nitro- (CAS 2224-39-7), with molecular formula C8H17NO3 and molecular weight 175.12 g/mol. IUPAC: 1-nitrooctan-2-ol.
Chemical Property Profile of 2-Octanol, 1-nitro-
Property Insights of 2-Octanol, 1-nitro-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Octanol, 1-nitro-. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Octanol, 1-nitro-. Following Lipinski's Rule of Five, 2-Octanol, 1-nitro- 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 2-Octanol, 1-nitro-?
The CAS number of 2-Octanol, 1-nitro- is 2224-39-7.
What is the molecular formula of 2-Octanol, 1-nitro-?
The molecular formula of 2-Octanol, 1-nitro- is C8H17NO3.
What is the molecular weight of 2-Octanol, 1-nitro-?
The molecular weight of 2-Octanol, 1-nitro- is 175.12 g/mol.
Where can I buy 2-Octanol, 1-nitro-?
You can request a quote for 2-Octanol, 1-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octanol, 1-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Octanol, 1-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.