1,6-Heptadiyne
TL;DR: 1,6-Heptadiyne (CAS 2396653-60-2) is a chemical compound with molecular formula C7H8 and molecular weight 92.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hepta-1,6-diyne
Also Known As: 1,6-Heptadiyne, hepta-1,6-diyne, Hepta1,6diyne, heptane-1,6-diyne, 1,6-heptanediyne
| Molecular Formula | C7H8 |
|---|---|
| Molecular Weight | 92.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 92.0626 |
| Heavy Atoms | 7 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 2396653-60-2 |
|---|---|
| SMILES | C#CCCCC#C |
| InChIKey | RSPZSDWVQWRAEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Heptadiyne (CAS 2396653-60-2), with molecular formula C7H8 and molecular weight 92.06 g/mol. IUPAC: hepta-1,6-diyne.
Chemical Property Profile of 1,6-Heptadiyne
Property Insights of 1,6-Heptadiyne
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Heptadiyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1,6-Heptadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Heptadiyne 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 1,6-Heptadiyne?
The CAS number of 1,6-Heptadiyne is 2396653-60-2.
What is the molecular formula of 1,6-Heptadiyne?
The molecular formula of 1,6-Heptadiyne is C7H8.
What is the molecular weight of 1,6-Heptadiyne?
The molecular weight of 1,6-Heptadiyne is 92.06 g/mol.
Where can I buy 1,6-Heptadiyne?
You can request a quote for 1,6-Heptadiyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Heptadiyne?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Heptadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.