Nonyl 2-methylisocrotonate
TL;DR: Nonyl 2-methylisocrotonate (CAS 29781-04-2) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl (Z)-2-methylbut-2-enoate
Also Known As: Nonyl 2-methylisocrotonate, nonyl2-methylisocrotonate, nonyl 2-methylbut-2-enoate, EINECS 280-813-7, nonyl (Z)-2-methylbut-2-enoate
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 4.2464 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 206.78088 |
Chemical Identifiers
| CAS Number | 29781-04-2 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)/C(=C\C)/C |
Product Overview
Nonyl 2-methylisocrotonate (CAS 29781-04-2), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: nonyl (Z)-2-methylbut-2-enoate.
Chemical Property Profile of Nonyl 2-methylisocrotonate
Property Insights of Nonyl 2-methylisocrotonate
The XLogP value of 4.2464 indicates that Nonyl 2-methylisocrotonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Nonyl 2-methylisocrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl 2-methylisocrotonate has 0 hydrogen bond donor(s) and 2 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 Nonyl 2-methylisocrotonate?
The CAS number of Nonyl 2-methylisocrotonate is 29781-04-2.
What is the molecular formula of Nonyl 2-methylisocrotonate?
The molecular formula of Nonyl 2-methylisocrotonate is C14H26O2.
What is the molecular weight of Nonyl 2-methylisocrotonate?
The molecular weight of Nonyl 2-methylisocrotonate is 226.19 g/mol.
Where can I buy Nonyl 2-methylisocrotonate?
You can request a quote for Nonyl 2-methylisocrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl 2-methylisocrotonate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl 2-methylisocrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.