Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester
TL;DR: Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester (CAS 65416-15-1) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpent-3-enyl 2-hydroxybenzoate
Also Known As: Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester, RefChem:326880
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 65416-15-1 |
|---|---|
| SMILES | CC=C(C)CCOC(=O)C1=CC=CC=C1O |
| InChIKey | DUVODKYLTOFNJW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester (CAS 65416-15-1), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 3-methylpent-3-enyl 2-hydroxybenzoate.
Chemical Property Profile of Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester
Property Insights of Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester
The XLogP value of 4.5 indicates that Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester has 1 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 Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester?
The CAS number of Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester is 65416-15-1.
What is the molecular formula of Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester?
The molecular formula of Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester is C13H16O3.
What is the molecular weight of Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester?
The molecular weight of Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester is 220.11 g/mol.
Where can I buy Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester?
You can request a quote for Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-hydroxy-, 3-methyl-3-pentenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.