Valencic Acid
TL;DR: Valencic Acid (CAS 28305-25-1) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylbut-2-enoxy)benzoic acid
Also Known As: valencic acid, Valencate, 4-prenyloxybenzoic acid, 4-(3-methylbut-2-enoxy)benzoic acid, 4-[(3-methylbut-2-en-1-yl)oxy]benzoic acid
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 28305-25-1 |
|---|---|
| SMILES | CC(=CCOC1=CC=C(C=C1)C(=O)O)C |
| InChIKey | KLZJDQVTNOMAKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Valencic Acid (CAS 28305-25-1), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 4-(3-methylbut-2-enoxy)benzoic acid.
Chemical Property Profile of Valencic Acid
Property Insights of Valencic Acid
The XLogP value of 3.5 indicates that Valencic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Valencic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valencic Acid 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 Valencic Acid?
The CAS number of Valencic Acid is 28305-25-1.
What is the molecular formula of Valencic Acid?
The molecular formula of Valencic Acid is C12H14O3.
What is the molecular weight of Valencic Acid?
The molecular weight of Valencic Acid is 206.09 g/mol.
Where can I buy Valencic Acid?
You can request a quote for Valencic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valencic Acid?
Yes, KEHONG BIO provides custom synthesis services for Valencic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.