山梨酸异丁酯
TL;DR: 山梨酸异丁酯 (CAS 62279-96-3) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
山梨酸异丁酯
2-methylpropyl (2E,4E)-hexa-2,4-dienoate
Also Known As: Isobutyl sorbate, isobutane sorbate, Isobutyl hexa-2,4-dienoate, isobutylhexa-2,4-dienoate, EINECS 262-567-2
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.3179 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 178.2776 |
Chemical Identifiers
| CAS Number | 62279-96-3 |
|---|---|
| SMILES | C/C=C/C=C/C(=O)OCC(C)C |
Product Overview
山梨酸异丁酯 (CAS 62279-96-3), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 2-methylpropyl (2E,4E)-hexa-2,4-dienoate.
Chemical Property Profile of 山梨酸异丁酯
Property Insights of 山梨酸异丁酯
The XLogP value of 2.3179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 山梨酸异丁酯. With a topological polar surface area (TPSA) of 26.3 Ų, 山梨酸异丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 山梨酸异丁酯 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 山梨酸异丁酯?
The CAS number of 山梨酸异丁酯 is 62279-96-3.
What is the molecular formula of 山梨酸异丁酯?
The molecular formula of 山梨酸异丁酯 is C10H16O2.
What is the molecular weight of 山梨酸异丁酯?
The molecular weight of 山梨酸异丁酯 is 168.12 g/mol.
Where can I buy 山梨酸异丁酯?
You can request a quote for 山梨酸异丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 山梨酸异丁酯?
Yes, KEHONG BIO provides custom synthesis services for 山梨酸异丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.