1-Octanol, 8-nitro-
TL;DR: 1-Octanol, 8-nitro- (CAS 101972-90-1) 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.
8-nitrooctan-1-ol
Also Known As: 1-Octanol, 8-nitro-, 8-nitrooctan-1-ol, 8-nitro-1-octanol, 1-Octanol,8-nitro
| Molecular Formula | C8H17NO3 |
|---|---|
| Molecular Weight | 175.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 175.12085 |
| Heavy Atoms | 12 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 101972-90-1 |
|---|---|
| SMILES | C(CCCCO)CCC[N+](=O)[O-] |
| InChIKey | NVCMQUWIVFXVRL-UHFFFAOYSA-N |
Product Overview
1-Octanol, 8-nitro- (CAS 101972-90-1), with molecular formula C8H17NO3 and molecular weight 175.12 g/mol. IUPAC: 8-nitrooctan-1-ol.
Chemical Property Profile of 1-Octanol, 8-nitro-
Property Insights of 1-Octanol, 8-nitro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Octanol, 8-nitro-. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Octanol, 8-nitro-. Following Lipinski's Rule of Five, 1-Octanol, 8-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 1-Octanol, 8-nitro-?
The CAS number of 1-Octanol, 8-nitro- is 101972-90-1.
What is the molecular formula of 1-Octanol, 8-nitro-?
The molecular formula of 1-Octanol, 8-nitro- is C8H17NO3.
What is the molecular weight of 1-Octanol, 8-nitro-?
The molecular weight of 1-Octanol, 8-nitro- is 175.12 g/mol.
Where can I buy 1-Octanol, 8-nitro-?
You can request a quote for 1-Octanol, 8-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octanol, 8-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1-Octanol, 8-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.