2-Tridecanol, 1-nitro-
TL;DR: 2-Tridecanol, 1-nitro- (CAS 70833-52-2) is a chemical compound with molecular formula C13H27NO3 and molecular weight 245.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrotridecan-2-ol
Also Known As: 1-Nitro-2-tridecanol, 2-Tridecanol, 1-nitro-, 1-nitrotridecan-2-ol, RefChem:89496
| Molecular Formula | C13H27NO3 |
|---|---|
| Molecular Weight | 245.20 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 245.1991 |
| Heavy Atoms | 17 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 70833-52-2 |
|---|---|
| SMILES | CCCCCCCCCCCC(C[N+](=O)[O-])O |
| InChIKey | FWVFEWHEOYAZDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Tridecanol, 1-nitro- (CAS 70833-52-2), with molecular formula C13H27NO3 and molecular weight 245.20 g/mol. IUPAC: 1-nitrotridecan-2-ol.
Chemical Property Profile of 2-Tridecanol, 1-nitro-
Property Insights of 2-Tridecanol, 1-nitro-
The XLogP value of 5.0 indicates that 2-Tridecanol, 1-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tridecanol, 1-nitro-. Following Lipinski's Rule of Five, 2-Tridecanol, 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-Tridecanol, 1-nitro-?
The CAS number of 2-Tridecanol, 1-nitro- is 70833-52-2.
What is the molecular formula of 2-Tridecanol, 1-nitro-?
The molecular formula of 2-Tridecanol, 1-nitro- is C13H27NO3.
What is the molecular weight of 2-Tridecanol, 1-nitro-?
The molecular weight of 2-Tridecanol, 1-nitro- is 245.20 g/mol.
Where can I buy 2-Tridecanol, 1-nitro-?
You can request a quote for 2-Tridecanol, 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-Tridecanol, 1-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Tridecanol, 1-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.