Isobutylparaben
TL;DR: Isobutylparaben (CAS 4247-02-3) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-hydroxybenzoate
Also Known As: Isobutyl 4-hydroxybenzoate, Isobutylparaben, isobutyl paraben, Isobutyl p-hydroxybenzoate, 2-Methylpropyl 4-hydroxybenzoate
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 4247-02-3 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=C(C=C1)O |
| InChIKey | XPJVKCRENWUEJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutylparaben (CAS 4247-02-3), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-methylpropyl 4-hydroxybenzoate.
Chemical Property Profile of Isobutylparaben
Property Insights of Isobutylparaben
The XLogP value of 3.4 indicates that Isobutylparaben is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Isobutylparaben exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutylparaben 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 Isobutylparaben?
The CAS number of Isobutylparaben is 4247-02-3.
What is the molecular formula of Isobutylparaben?
The molecular formula of Isobutylparaben is C11H14O3.
What is the molecular weight of Isobutylparaben?
The molecular weight of Isobutylparaben is 194.09 g/mol.
Where can I buy Isobutylparaben?
You can request a quote for Isobutylparaben directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutylparaben?
Yes, KEHONG BIO provides custom synthesis services for Isobutylparaben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.