1,3-Octadiyne
TL;DR: 1,3-Octadiyne (CAS 76187-86-5) is a chemical compound with molecular formula C8H10 and molecular weight 106.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octa-1,3-diyne
Also Known As: Octadiyne, 1,3-Octadiyne, octa-1,3-diyne, J1.484.738C
| Molecular Formula | C8H10 |
|---|---|
| Molecular Weight | 106.08 g/mol |
| LogP | 1.8132 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 106.07825 |
| Heavy Atoms | 8 |
| Complexity | 126.342865 |
Chemical Identifiers
| CAS Number | 76187-86-5 |
|---|---|
| SMILES | CCCCC#CC#C |
Product Overview
1,3-Octadiyne (CAS 76187-86-5), with molecular formula C8H10 and molecular weight 106.08 g/mol. IUPAC: octa-1,3-diyne.
Chemical Property Profile of 1,3-Octadiyne
Property Insights of 1,3-Octadiyne
The XLogP value of 1.8132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Octadiyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Octadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Octadiyne 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-Octadiyne?
The CAS number of 1,3-Octadiyne is 76187-86-5.
What is the molecular formula of 1,3-Octadiyne?
The molecular formula of 1,3-Octadiyne is C8H10.
What is the molecular weight of 1,3-Octadiyne?
The molecular weight of 1,3-Octadiyne is 106.08 g/mol.
Where can I buy 1,3-Octadiyne?
You can request a quote for 1,3-Octadiyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Octadiyne?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Octadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.