3-Dodecyne
TL;DR: 3-Dodecyne (CAS 6790-27-8) is a chemical compound with molecular formula C12H22 and molecular weight 166.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodec-3-yne
Also Known As: 3-Dodecyne, dodec-3-yne, RefChem:93735
| Molecular Formula | C12H22 |
|---|---|
| Molecular Weight | 166.17 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 166.17215 |
| Heavy Atoms | 12 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 6790-27-8 |
|---|---|
| SMILES | CCCCCCCCC#CCC |
| InChIKey | ZFAGQZXKTQFQLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Dodecyne (CAS 6790-27-8), with molecular formula C12H22 and molecular weight 166.17 g/mol. IUPAC: dodec-3-yne.
Chemical Property Profile of 3-Dodecyne
Property Insights of 3-Dodecyne
The XLogP value of 5.5 indicates that 3-Dodecyne 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-Dodecyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Dodecyne has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Dodecyne?
The CAS number of 3-Dodecyne is 6790-27-8.
What is the molecular formula of 3-Dodecyne?
The molecular formula of 3-Dodecyne is C12H22.
What is the molecular weight of 3-Dodecyne?
The molecular weight of 3-Dodecyne is 166.17 g/mol.
Where can I buy 3-Dodecyne?
You can request a quote for 3-Dodecyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dodecyne?
Yes, KEHONG BIO provides custom synthesis services for 3-Dodecyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.