2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester
TL;DR: 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester (CAS 106281-45-2) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-oxocyclohexen-1-yl)methyl but-2-enoate
Also Known As: 2-Comc, 2-Crotonyloxymethyl-2-cyclohexenone, 2-Crotonyloxymethyl-cyclohex-2-enone, (6-Oxocyclohexen-1-yl)methyl but-2-enoate, 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 106281-45-2 |
|---|---|
| SMILES | CC=CC(=O)OCC1=CCCCC1=O |
| InChIKey | IQAJMALOOLNRLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester (CAS 106281-45-2), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: (6-oxocyclohexen-1-yl)methyl but-2-enoate.
Chemical Property Profile of 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester
Property Insights of 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester has 0 hydrogen bond donor(s) and 3 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,(6-oxo-1-cyclohexen-1-yl)methyl ester?
The CAS number of 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester is 106281-45-2.
What is the molecular formula of 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester?
The molecular formula of 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester is C11H14O3.
What is the molecular weight of 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester?
The molecular weight of 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester is 194.09 g/mol.
Where can I buy 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester?
You can request a quote for 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl 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,(6-oxo-1-cyclohexen-1-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid,(6-oxo-1-cyclohexen-1-yl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.