2-Butenoic acid, 2-cyclohexylethenyl ester
TL;DR: 2-Butenoic acid, 2-cyclohexylethenyl ester (CAS 68039-68-9) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohexylethenyl but-2-enoate
Also Known As: Hexahydrostyryl crotonate, 2-cyclohexylvinyl2-butenoate, 2-Cyclohexylvinyl 2-butenoate, 2-Butenoic acid, 2-cyclohexylethenyl ester, 2-BUTENOIC ACID 2-CYCLOHEXYLVINYL ESTER
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 68039-68-9 |
|---|---|
| SMILES | CC=CC(=O)OC=CC1CCCCC1 |
| InChIKey | CXPCFXOZPWMTLS-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, 2-cyclohexylethenyl ester (CAS 68039-68-9), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 2-cyclohexylethenyl but-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2-cyclohexylethenyl ester
Property Insights of 2-Butenoic acid, 2-cyclohexylethenyl ester
The XLogP value of 3.8 indicates that 2-Butenoic acid, 2-cyclohexylethenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, 2-cyclohexylethenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-cyclohexylethenyl ester 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 2-Butenoic acid, 2-cyclohexylethenyl ester?
The CAS number of 2-Butenoic acid, 2-cyclohexylethenyl ester is 68039-68-9.
What is the molecular formula of 2-Butenoic acid, 2-cyclohexylethenyl ester?
The molecular formula of 2-Butenoic acid, 2-cyclohexylethenyl ester is C12H18O2.
What is the molecular weight of 2-Butenoic acid, 2-cyclohexylethenyl ester?
The molecular weight of 2-Butenoic acid, 2-cyclohexylethenyl ester is 194.13 g/mol.
Where can I buy 2-Butenoic acid, 2-cyclohexylethenyl ester?
You can request a quote for 2-Butenoic acid, 2-cyclohexylethenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 2-cyclohexylethenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-cyclohexylethenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.