Dodec-11-enenitrile
TL;DR: Dodec-11-enenitrile (CAS 5048-44-2) is a chemical compound with molecular formula C12H21N and molecular weight 179.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodec-11-enenitrile
Also Known As: Dodec-11-enenitrile, 11-dodecenenitrile, 11-dodecenenittrile, EINECS 225-746-6
| Molecular Formula | C12H21N |
|---|---|
| Molecular Weight | 179.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 179.1674 |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 5048-44-2 |
|---|---|
| SMILES | C=CCCCCCCCCCC#N |
| InChIKey | JCXSQWLYMCCGSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dodec-11-enenitrile (CAS 5048-44-2), with molecular formula C12H21N and molecular weight 179.17 g/mol. IUPAC: dodec-11-enenitrile.
Chemical Property Profile of Dodec-11-enenitrile
Property Insights of Dodec-11-enenitrile
The XLogP value of 4.2 indicates that Dodec-11-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Dodec-11-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodec-11-enenitrile has 0 hydrogen bond donor(s) and 1 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 Dodec-11-enenitrile?
The CAS number of Dodec-11-enenitrile is 5048-44-2.
What is the molecular formula of Dodec-11-enenitrile?
The molecular formula of Dodec-11-enenitrile is C12H21N.
What is the molecular weight of Dodec-11-enenitrile?
The molecular weight of Dodec-11-enenitrile is 179.17 g/mol.
Where can I buy Dodec-11-enenitrile?
You can request a quote for Dodec-11-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodec-11-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for Dodec-11-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.