Isobutyl phenoxyacetate
TL;DR: Isobutyl phenoxyacetate (CAS 5432-66-6) 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 2-phenoxyacetate
Also Known As: Isobutyl phenoxyacetate, 2-methylpropyl 2-phenoxyacetate, 2-Methylpropyl phenoxyacetate, Acetic acid, 2-methylpropyl ester, Acetic acid, phenoxy-, 2-methylpropyl ester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 5432-66-6 |
|---|---|
| SMILES | CC(C)COC(=O)COC1=CC=CC=C1 |
| InChIKey | YTQQLZPYNUPPNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl phenoxyacetate (CAS 5432-66-6), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 2-methylpropyl 2-phenoxyacetate.
Chemical Property Profile of Isobutyl phenoxyacetate
Property Insights of Isobutyl phenoxyacetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl phenoxyacetate. With a topological polar surface area (TPSA) of 35.5 Ų, Isobutyl phenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl phenoxyacetate 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 phenoxyacetate?
The CAS number of Isobutyl phenoxyacetate is 5432-66-6.
What is the molecular formula of Isobutyl phenoxyacetate?
The molecular formula of Isobutyl phenoxyacetate is C12H16O3.
What is the molecular weight of Isobutyl phenoxyacetate?
The molecular weight of Isobutyl phenoxyacetate is 208.11 g/mol.
Where can I buy Isobutyl phenoxyacetate?
You can request a quote for Isobutyl phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.