3,9-Dodecadiyne
TL;DR: 3,9-Dodecadiyne (CAS 61827-89-2) is a chemical compound with molecular formula C12H18 and molecular weight 162.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodeca-3,9-diyne
Also Known As: 3,9-Dodecadiyne, dodeca-3,9-diyne, 3,9-dodecadiyn, 3-Methyl-2-hexanone, 3,9-Dodecadiyne, 95%
| Molecular Formula | C12H18 |
|---|---|
| Molecular Weight | 162.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.14085 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 61827-89-2 |
|---|---|
| SMILES | CCC#CCCCCC#CCC |
| InChIKey | SLQXYOMUNKJHRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,9-Dodecadiyne (CAS 61827-89-2), with molecular formula C12H18 and molecular weight 162.14 g/mol. IUPAC: dodeca-3,9-diyne.
Chemical Property Profile of 3,9-Dodecadiyne
Property Insights of 3,9-Dodecadiyne
The XLogP value of 4.4 indicates that 3,9-Dodecadiyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,9-Dodecadiyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,9-Dodecadiyne 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 3,9-Dodecadiyne?
The CAS number of 3,9-Dodecadiyne is 61827-89-2.
What is the molecular formula of 3,9-Dodecadiyne?
The molecular formula of 3,9-Dodecadiyne is C12H18.
What is the molecular weight of 3,9-Dodecadiyne?
The molecular weight of 3,9-Dodecadiyne is 162.14 g/mol.
Where can I buy 3,9-Dodecadiyne?
You can request a quote for 3,9-Dodecadiyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9-Dodecadiyne?
Yes, KEHONG BIO provides custom synthesis services for 3,9-Dodecadiyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.