1,3,7-Octatrien-5-yne
TL;DR: 1,3,7-Octatrien-5-yne (CAS 16607-77-5) is a chemical compound with molecular formula C8H8 and molecular weight 104.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octa-1,3,7-trien-5-yne
Also Known As: 1,3,7-Octatrien-5-yne, OCTA-1,3,7-TRIEN-5-YNE, RefChem:217596
| Molecular Formula | C8H8 |
|---|---|
| Molecular Weight | 104.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 104.0626 |
| Heavy Atoms | 8 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 16607-77-5 |
|---|---|
| SMILES | C=CC=CC#CC=C |
| InChIKey | DYQVQSUVEDCHDD-UHFFFAOYSA-N |
Product Overview
1,3,7-Octatrien-5-yne (CAS 16607-77-5), with molecular formula C8H8 and molecular weight 104.06 g/mol. IUPAC: octa-1,3,7-trien-5-yne.
Chemical Property Profile of 1,3,7-Octatrien-5-yne
Property Insights of 1,3,7-Octatrien-5-yne
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,7-Octatrien-5-yne. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,7-Octatrien-5-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,7-Octatrien-5-yne has 0 hydrogen bond donor(s) and 0 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 1,3,7-Octatrien-5-yne?
The CAS number of 1,3,7-Octatrien-5-yne is 16607-77-5.
What is the molecular formula of 1,3,7-Octatrien-5-yne?
The molecular formula of 1,3,7-Octatrien-5-yne is C8H8.
What is the molecular weight of 1,3,7-Octatrien-5-yne?
The molecular weight of 1,3,7-Octatrien-5-yne is 104.06 g/mol.
Where can I buy 1,3,7-Octatrien-5-yne?
You can request a quote for 1,3,7-Octatrien-5-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,7-Octatrien-5-yne?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-Octatrien-5-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.