2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol
TL;DR: 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol (CAS 16863-64-2) is a chemical compound with molecular formula C13H11ClO and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,11E)-2-chlorotrideca-3,11-dien-5,7,9-triyn-1-ol
Also Known As: 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol, 3,11-Tridecadiene-5,7,9-triyn-1-ol, 2-chloro-, J1.605.668E, (3E,11E)-2-chlorotrideca-3,11-dien-5,7,9-triyn-1-ol, 2-Chloro-3,11-tridecadiene-5,7,9-triyne-1-ol
| Molecular Formula | C13H11ClO |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 1.7286 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.04984 |
| Heavy Atoms | 15 |
| Complexity | 399.02292 |
Chemical Identifiers
| CAS Number | 16863-64-2 |
|---|---|
| SMILES | C/C=C/C#CC#CC#C/C=C/C(CO)Cl |
Product Overview
2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol (CAS 16863-64-2), with molecular formula C13H11ClO and molecular weight 218.05 g/mol. IUPAC: (3E,11E)-2-chlorotrideca-3,11-dien-5,7,9-triyn-1-ol.
Chemical Property Profile of 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol
Property Insights of 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol
The XLogP value of 1.7286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3,11-tridecadiene-5,7,9-triyn-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 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol?
The CAS number of 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol is 16863-64-2.
What is the molecular formula of 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol?
The molecular formula of 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol is C13H11ClO.
What is the molecular weight of 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol?
The molecular weight of 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol is 218.05 g/mol.
Where can I buy 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol?
You can request a quote for 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.