3,7-二甲基辛-3,6-二烯腈
TL;DR: 3,7-二甲基辛-3,6-二烯腈 (CAS 26509-71-7) is a chemical compound with molecular formula C10H15N and molecular weight 149.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-二甲基辛-3,6-二烯腈
3,7-dimethylocta-3,6-dienenitrile
Also Known As: (E)-3,7-Dimethylocta-3,6-dienenitrile, trans-3,7-Dimethyl-3,6-octadienenitrile, 3,6-Octadienenitrile, 3,7-dimethyl-, (E)-, 3,6-Octadienenitrile,3,7-dimethyl-, (3E)-, 3,6-Octadienenitrile,3,7-dimethyl-, (3Z)-
| Molecular Formula | C10H15N |
|---|---|
| Molecular Weight | 149.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.12045 |
| Heavy Atoms | 11 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 26509-71-7 |
|---|---|
| SMILES | CC(=CCC=C(C)CC#N)C |
| InChIKey | LNWFHUTYUOYNBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-二甲基辛-3,6-二烯腈 (CAS 26509-71-7), with molecular formula C10H15N and molecular weight 149.12 g/mol. IUPAC: 3,7-dimethylocta-3,6-dienenitrile.
Chemical Property Profile of 3,7-二甲基辛-3,6-二烯腈
Property Insights of 3,7-二甲基辛-3,6-二烯腈
The XLogP value of 3.1 indicates that 3,7-二甲基辛-3,6-二烯腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3,7-二甲基辛-3,6-二烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-二甲基辛-3,6-二烯腈 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 3,7-二甲基辛-3,6-二烯腈?
The CAS number of 3,7-二甲基辛-3,6-二烯腈 is 26509-71-7.
What is the molecular formula of 3,7-二甲基辛-3,6-二烯腈?
The molecular formula of 3,7-二甲基辛-3,6-二烯腈 is C10H15N.
What is the molecular weight of 3,7-二甲基辛-3,6-二烯腈?
The molecular weight of 3,7-二甲基辛-3,6-二烯腈 is 149.12 g/mol.
Where can I buy 3,7-二甲基辛-3,6-二烯腈?
You can request a quote for 3,7-二甲基辛-3,6-二烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-二甲基辛-3,6-二烯腈?
Yes, KEHONG BIO provides custom synthesis services for 3,7-二甲基辛-3,6-二烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.