1,7-Cyclododecadiyne
TL;DR: 1,7-Cyclododecadiyne (CAS 4641-85-4) is a chemical compound with molecular formula C12H16 and molecular weight 160.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclododeca-1,7-diyne
Also Known As: Cyclododeca-1,7-diyne, 1,7-CYCLODODECADIYNE, cyclododecadiyne, RefChem:221662
| Molecular Formula | C12H16 |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.1252 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 4641-85-4 |
|---|---|
| SMILES | C1CCC#CCCCCC#CC1 |
| InChIKey | PFEAQLAFRLNENU-UHFFFAOYSA-N |
Product Overview
1,7-Cyclododecadiyne (CAS 4641-85-4), with molecular formula C12H16 and molecular weight 160.13 g/mol. IUPAC: cyclododeca-1,7-diyne.
Chemical Property Profile of 1,7-Cyclododecadiyne
Property Insights of 1,7-Cyclododecadiyne
The XLogP value of 4.1 indicates that 1,7-Cyclododecadiyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,7-Cyclododecadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,7-Cyclododecadiyne 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 1,7-Cyclododecadiyne?
The CAS number of 1,7-Cyclododecadiyne is 4641-85-4.
What is the molecular formula of 1,7-Cyclododecadiyne?
The molecular formula of 1,7-Cyclododecadiyne is C12H16.
What is the molecular weight of 1,7-Cyclododecadiyne?
The molecular weight of 1,7-Cyclododecadiyne is 160.13 g/mol.
Where can I buy 1,7-Cyclododecadiyne?
You can request a quote for 1,7-Cyclododecadiyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Cyclododecadiyne?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Cyclododecadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.