3-Dimethylallyl-4-hydroxybenzaldehyde
TL;DR: 3-Dimethylallyl-4-hydroxybenzaldehyde (CAS 54730-30-2) 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.
4-hydroxy-3-(3-methylbut-2-enyl)benzaldehyde
Also Known As: 3-Dimethylallyl-4-hydroxybenzaldehyde, 4-hydroxy-3-(3-methylbut-2-enyl)benzaldehyde, 3-Prenyl-4-hydroxybenzaldehyde, 4-Hydroxy-3-prenylbenzaldehyde, 4-hydroxy-3-(3-methyl-2-butenyl)benzaldehyde
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 54730-30-2 |
|---|---|
| SMILES | CC(=CCC1=C(C=CC(=C1)C=O)O)C |
| InChIKey | XHFURSFUHFDPTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Dimethylallyl-4-hydroxybenzaldehyde (CAS 54730-30-2), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 4-hydroxy-3-(3-methylbut-2-enyl)benzaldehyde.
Chemical Property Profile of 3-Dimethylallyl-4-hydroxybenzaldehyde
Property Insights of 3-Dimethylallyl-4-hydroxybenzaldehyde
The XLogP value of 3.0 indicates that 3-Dimethylallyl-4-hydroxybenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Dimethylallyl-4-hydroxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Dimethylallyl-4-hydroxybenzaldehyde has 1 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 3-Dimethylallyl-4-hydroxybenzaldehyde?
The CAS number of 3-Dimethylallyl-4-hydroxybenzaldehyde is 54730-30-2.
What is the molecular formula of 3-Dimethylallyl-4-hydroxybenzaldehyde?
The molecular formula of 3-Dimethylallyl-4-hydroxybenzaldehyde is C12H14O2.
What is the molecular weight of 3-Dimethylallyl-4-hydroxybenzaldehyde?
The molecular weight of 3-Dimethylallyl-4-hydroxybenzaldehyde is 190.10 g/mol.
Where can I buy 3-Dimethylallyl-4-hydroxybenzaldehyde?
You can request a quote for 3-Dimethylallyl-4-hydroxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dimethylallyl-4-hydroxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Dimethylallyl-4-hydroxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.