11-Cyanoundecanoic acid
TL;DR: 11-Cyanoundecanoic acid (CAS 5810-18-4) is a chemical compound with molecular formula C12H21NO2 and molecular weight 211.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-cyanoundecanoic acid
Also Known As: 11-Cyanoundecanoic acid, 11-CYANO-1-UNDECANOIC ACID, Undecanoic acid, 11-cyano-, cyanoundecanoic acid, 11-CYANO-1-UNDECANOICACID
| Molecular Formula | C12H21NO2 |
|---|---|
| Molecular Weight | 211.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 211.15723 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 5810-18-4 |
|---|---|
| SMILES | C(CCCCCC(=O)O)CCCCC#N |
| InChIKey | YKHZGLKQBYTRHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11-Cyanoundecanoic acid (CAS 5810-18-4), with molecular formula C12H21NO2 and molecular weight 211.16 g/mol. IUPAC: 11-cyanoundecanoic acid.
Chemical Property Profile of 11-Cyanoundecanoic acid
Property Insights of 11-Cyanoundecanoic acid
The XLogP value of 3.6 indicates that 11-Cyanoundecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Cyanoundecanoic acid. Following Lipinski's Rule of Five, 11-Cyanoundecanoic acid 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 11-Cyanoundecanoic acid?
The CAS number of 11-Cyanoundecanoic acid is 5810-18-4.
What is the molecular formula of 11-Cyanoundecanoic acid?
The molecular formula of 11-Cyanoundecanoic acid is C12H21NO2.
What is the molecular weight of 11-Cyanoundecanoic acid?
The molecular weight of 11-Cyanoundecanoic acid is 211.16 g/mol.
Where can I buy 11-Cyanoundecanoic acid?
You can request a quote for 11-Cyanoundecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Cyanoundecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 11-Cyanoundecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.