4-Methylenecyclohexyl benzoate
TL;DR: 4-Methylenecyclohexyl benzoate (CAS 110701-99-0) is a chemical compound with molecular formula C14H16O2 and molecular weight 216.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylidenecyclohexyl) benzoate
Also Known As: 4-Methylenecyclohexyl benzoate, (4-methylidenecyclohexyl) Benzoate
| Molecular Formula | C14H16O2 |
|---|---|
| Molecular Weight | 216.12 g/mol |
| LogP | 3.3422 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.11504 |
| Heavy Atoms | 16 |
| Complexity | 370.98163 |
Chemical Identifiers
| CAS Number | 110701-99-0 |
|---|---|
| SMILES | C=C1CCC(CC1)OC(=O)C2=CC=CC=C2 |
Product Overview
4-Methylenecyclohexyl benzoate (CAS 110701-99-0), with molecular formula C14H16O2 and molecular weight 216.12 g/mol. IUPAC: (4-methylidenecyclohexyl) benzoate.
Chemical Property Profile of 4-Methylenecyclohexyl benzoate
Property Insights of 4-Methylenecyclohexyl benzoate
The XLogP value of 3.3422 indicates that 4-Methylenecyclohexyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methylenecyclohexyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylenecyclohexyl benzoate 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 4-Methylenecyclohexyl benzoate?
The CAS number of 4-Methylenecyclohexyl benzoate is 110701-99-0.
What is the molecular formula of 4-Methylenecyclohexyl benzoate?
The molecular formula of 4-Methylenecyclohexyl benzoate is C14H16O2.
What is the molecular weight of 4-Methylenecyclohexyl benzoate?
The molecular weight of 4-Methylenecyclohexyl benzoate is 216.12 g/mol.
Where can I buy 4-Methylenecyclohexyl benzoate?
You can request a quote for 4-Methylenecyclohexyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylenecyclohexyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylenecyclohexyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.