2,2,5,9-四甲基-4,8-癸二烯腈
TL;DR: 2,2,5,9-四甲基-4,8-癸二烯腈 (CAS 58260-78-9) is a chemical compound with molecular formula C14H23N and molecular weight 205.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,5,9-四甲基-4,8-癸二烯腈
2,2,5,9-tetramethyldeca-4,8-dienenitrile
Also Known As: 2,2,5,9-Tetramethyl-4,8-decadienenitrile, 4,8-Decadienenitrile, 2,2,5,9-tetramethyl-, (4E)-2,2,5,9-tetramethyldeca-4,8-dienenitrile, 261-191-6, EINECS 261-191-6
| Molecular Formula | C14H23N |
|---|---|
| Molecular Weight | 205.18 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.18304 |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 58260-78-9 |
|---|---|
| SMILES | CC(=CCCC(=CCC(C)(C)C#N)C)C |
| InChIKey | NFMTVOFPAPETFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,5,9-四甲基-4,8-癸二烯腈 (CAS 58260-78-9), with molecular formula C14H23N and molecular weight 205.18 g/mol. IUPAC: 2,2,5,9-tetramethyldeca-4,8-dienenitrile.
Chemical Property Profile of 2,2,5,9-四甲基-4,8-癸二烯腈
Property Insights of 2,2,5,9-四甲基-4,8-癸二烯腈
The XLogP value of 4.7 indicates that 2,2,5,9-四甲基-4,8-癸二烯腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2,2,5,9-四甲基-4,8-癸二烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5,9-四甲基-4,8-癸二烯腈 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 2,2,5,9-四甲基-4,8-癸二烯腈?
The CAS number of 2,2,5,9-四甲基-4,8-癸二烯腈 is 58260-78-9.
What is the molecular formula of 2,2,5,9-四甲基-4,8-癸二烯腈?
The molecular formula of 2,2,5,9-四甲基-4,8-癸二烯腈 is C14H23N.
What is the molecular weight of 2,2,5,9-四甲基-4,8-癸二烯腈?
The molecular weight of 2,2,5,9-四甲基-4,8-癸二烯腈 is 205.18 g/mol.
Where can I buy 2,2,5,9-四甲基-4,8-癸二烯腈?
You can request a quote for 2,2,5,9-四甲基-4,8-癸二烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,5,9-四甲基-4,8-癸二烯腈?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5,9-四甲基-4,8-癸二烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.