Cyclohexaneacrylic acid methylester
TL;DR: Cyclohexaneacrylic acid methylester (CAS 705-95-3) 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.
methyl 3-cyclohexylprop-2-enoate
Also Known As: methyl 3-cyclohexylprop-2-enoate, Cyclohexaneacrylic acid methylester, methyl (E)-3-cyclohexylprop-2-enoate, CYCLOHEXANEACRYLIC ACID METHYL ESTER, (S)-1-PHENYL-1,3-PROPANEDIOL
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 705-95-3 |
|---|---|
| SMILES | COC(=O)C=CC1CCCCC1 |
| InChIKey | XKLAFWWDQPGTLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexaneacrylic acid methylester (CAS 705-95-3), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: methyl 3-cyclohexylprop-2-enoate.
Chemical Property Profile of Cyclohexaneacrylic acid methylester
Property Insights of Cyclohexaneacrylic acid methylester
The XLogP value of 3.1 indicates that Cyclohexaneacrylic acid methylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexaneacrylic acid methylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneacrylic acid methylester 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 Cyclohexaneacrylic acid methylester?
The CAS number of Cyclohexaneacrylic acid methylester is 705-95-3.
What is the molecular formula of Cyclohexaneacrylic acid methylester?
The molecular formula of Cyclohexaneacrylic acid methylester is C10H16O2.
What is the molecular weight of Cyclohexaneacrylic acid methylester?
The molecular weight of Cyclohexaneacrylic acid methylester is 168.12 g/mol.
Where can I buy Cyclohexaneacrylic acid methylester?
You can request a quote for Cyclohexaneacrylic acid methylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexaneacrylic acid methylester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexaneacrylic acid methylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.