5,7,11-Dodecatriyn-1-ol
TL;DR: 5,7,11-Dodecatriyn-1-ol (CAS 76379-66-3) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodeca-5,7,11-triyn-1-ol
Also Known As: 5,7,11-Dodecatriyn-1-ol, dodeca-5,7,11-triyn-1-ol, DODECTO, RefChem:101238
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 76379-66-3 |
|---|---|
| SMILES | C#CCCC#CC#CCCCCO |
| InChIKey | TWBPLYADCPQACM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,7,11-Dodecatriyn-1-ol (CAS 76379-66-3), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: dodeca-5,7,11-triyn-1-ol.
Chemical Property Profile of 5,7,11-Dodecatriyn-1-ol
Property Insights of 5,7,11-Dodecatriyn-1-ol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7,11-Dodecatriyn-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 5,7,11-Dodecatriyn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7,11-Dodecatriyn-1-ol has 1 hydrogen bond donor(s) and 1 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 5,7,11-Dodecatriyn-1-ol?
The CAS number of 5,7,11-Dodecatriyn-1-ol is 76379-66-3.
What is the molecular formula of 5,7,11-Dodecatriyn-1-ol?
The molecular formula of 5,7,11-Dodecatriyn-1-ol is C12H14O.
What is the molecular weight of 5,7,11-Dodecatriyn-1-ol?
The molecular weight of 5,7,11-Dodecatriyn-1-ol is 174.10 g/mol.
Where can I buy 5,7,11-Dodecatriyn-1-ol?
You can request a quote for 5,7,11-Dodecatriyn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7,11-Dodecatriyn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 5,7,11-Dodecatriyn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.