Isobutyl 2-butenoate
TL;DR: Isobutyl 2-butenoate (CAS 73545-15-0) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl (E)-but-2-enoate
Also Known As: Isobutyl 2-butenoate, Isobutyl crotonate, Crotonic Acid Isobutyl Ester, Isobutyl but-2-enoate, 2-Methylpropyl crotonate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.7617 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 125.219284 |
Chemical Identifiers
| CAS Number | 73545-15-0 |
|---|---|
| SMILES | C/C=C/C(=O)OCC(C)C |
Product Overview
Isobutyl 2-butenoate (CAS 73545-15-0), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 2-methylpropyl (E)-but-2-enoate.
Chemical Property Profile of Isobutyl 2-butenoate
Property Insights of Isobutyl 2-butenoate
The XLogP value of 1.7617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 2-butenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl 2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 2-butenoate 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 Isobutyl 2-butenoate?
The CAS number of Isobutyl 2-butenoate is 73545-15-0.
What is the molecular formula of Isobutyl 2-butenoate?
The molecular formula of Isobutyl 2-butenoate is C8H14O2.
What is the molecular weight of Isobutyl 2-butenoate?
The molecular weight of Isobutyl 2-butenoate is 142.10 g/mol.
Where can I buy Isobutyl 2-butenoate?
You can request a quote for Isobutyl 2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.