宝花酯
TL;DR: 宝花酯 (CAS 5205-11-8) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
宝花酯
3-methylbut-2-enyl benzoate
Also Known As: Prenyl benzoate, 3-Methyl-2-butenyl benzoate, 3-Methylbut-2-enyl benzoate, Benzoic Acid 3-Methyl-2-butenyl Ester, 3-methylbut-2-en-1-yl benzoate
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
| Density | 1.016-1.025 |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.514-1.521 |
Chemical Identifiers
| CAS Number | 5205-11-8 |
|---|---|
| SMILES | CC(=CCOC(=O)C1=CC=CC=C1)C |
| InChIKey | INVWRXWYYVMFQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
宝花酯 (CAS 5205-11-8), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 3-methylbut-2-enyl benzoate.
Chemical Property Profile of 宝花酯
Property Insights of 宝花酯
The XLogP value of 3.2 indicates that 宝花酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 宝花酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 宝花酯 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 宝花酯?
The CAS number of 宝花酯 is 5205-11-8.
What is the molecular formula of 宝花酯?
The molecular formula of 宝花酯 is C12H14O2.
What is the molecular weight of 宝花酯?
The molecular weight of 宝花酯 is 190.10 g/mol.
Where can I buy 宝花酯?
You can request a quote for 宝花酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 宝花酯?
Yes, KEHONG BIO provides custom synthesis services for 宝花酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.