苯甲酸-2-环己烯酯
TL;DR: 苯甲酸-2-环己烯酯 (CAS 3352-93-0) is a chemical compound with molecular formula C13H14O2 and molecular weight 202.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸-2-环己烯酯
cyclohex-2-en-1-yl benzoate
Also Known As: 2-Cyclohexenyl benzoate, cyclohex-2-en-1-yl benzoate, 2-Cyclohexen-1-yl benzoate, 2-cyclo-hexenyl benzoate, 2-Cyclohexen-1-ol, benzoate
| Molecular Formula | C13H14O2 |
|---|---|
| Molecular Weight | 202.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.09938 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 3352-93-0 |
|---|---|
| SMILES | C1CC=CC(C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | APZIYLKXAJJSIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲酸-2-环己烯酯 (CAS 3352-93-0), with molecular formula C13H14O2 and molecular weight 202.10 g/mol. IUPAC: cyclohex-2-en-1-yl benzoate.
Chemical Property Profile of 苯甲酸-2-环己烯酯
Property Insights of 苯甲酸-2-环己烯酯
The XLogP value of 3.2 indicates that 苯甲酸-2-环己烯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 苯甲酸-2-环己烯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸-2-环己烯酯 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 苯甲酸-2-环己烯酯?
The CAS number of 苯甲酸-2-环己烯酯 is 3352-93-0.
What is the molecular formula of 苯甲酸-2-环己烯酯?
The molecular formula of 苯甲酸-2-环己烯酯 is C13H14O2.
What is the molecular weight of 苯甲酸-2-环己烯酯?
The molecular weight of 苯甲酸-2-环己烯酯 is 202.10 g/mol.
Where can I buy 苯甲酸-2-环己烯酯?
You can request a quote for 苯甲酸-2-环己烯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸-2-环己烯酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸-2-环己烯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.