4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid
TL;DR: 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid (CAS 1138-41-6) 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-hydroxy-3-(3-methylbut-2-enyl)benzoic acid
Also Known As: 4-hydroxy-3-prenylbenzoic acid, 4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid, 3-dimethylallyl-4-hydroxybenzoic acid, 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid, 4-hydroxy-3-prenylbenzoate
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 1138-41-6 |
|---|---|
| SMILES | CC(=CCC1=C(C=CC(=C1)C(=O)O)O)C |
| InChIKey | LBSJJNAMGVDGCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid (CAS 1138-41-6), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid.
Chemical Property Profile of 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid
Property Insights of 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid
The XLogP value of 3.0 indicates that 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid has 2 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 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid?
The CAS number of 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid is 1138-41-6.
What is the molecular formula of 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid?
The molecular formula of 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid is C12H14O3.
What is the molecular weight of 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid?
The molecular weight of 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid is 206.09 g/mol.
Where can I buy 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid?
You can request a quote for 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.