Isobutyl p-anisate
TL;DR: Isobutyl p-anisate (CAS 27739-28-2) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-methoxybenzoate
Also Known As: Isobutyl p-anisate, iso-Butyl anisate, Isobutyl 4-methoxybenzoate, 2-methylpropyl 4-methoxybenzoate, ANISIC ACID, ISOBUTYL
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 27739-28-2 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=C(C=C1)OC |
| InChIKey | HQYSDZUOGBUYJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl p-anisate (CAS 27739-28-2), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 2-methylpropyl 4-methoxybenzoate.
Chemical Property Profile of Isobutyl p-anisate
Property Insights of Isobutyl p-anisate
The XLogP value of 3.5 indicates that Isobutyl p-anisate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Isobutyl p-anisate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl p-anisate has 0 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 Isobutyl p-anisate?
The CAS number of Isobutyl p-anisate is 27739-28-2.
What is the molecular formula of Isobutyl p-anisate?
The molecular formula of Isobutyl p-anisate is C12H16O3.
What is the molecular weight of Isobutyl p-anisate?
The molecular weight of Isobutyl p-anisate is 208.11 g/mol.
Where can I buy Isobutyl p-anisate?
You can request a quote for Isobutyl p-anisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl p-anisate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl p-anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.