Isopropyl 2-phenoxyisobutyrate
TL;DR: Isopropyl 2-phenoxyisobutyrate (CAS 72575-86-1) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-methyl-2-phenoxypropanoate
Also Known As: Isopropyl 2-phenoxyisobutyrate, EINECS 276-718-5, propan-2-yl 2-methyl-2-phenoxypropanoate, 1-Methylethyl 2-methyl-2-phenoxypropanoate, ISOPROPYL 2-METHYL-2-PHENOXYPROPANOATE
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.7956 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 341.45517 |
Chemical Identifiers
| CAS Number | 72575-86-1 |
|---|---|
| SMILES | CC(C)OC(=O)C(C)(C)OC1=CC=CC=C1 |
Product Overview
Isopropyl 2-phenoxyisobutyrate (CAS 72575-86-1), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: propan-2-yl 2-methyl-2-phenoxypropanoate.
Chemical Property Profile of Isopropyl 2-phenoxyisobutyrate
Property Insights of Isopropyl 2-phenoxyisobutyrate
The XLogP value of 2.7956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 2-phenoxyisobutyrate. With a topological polar surface area (TPSA) of 35.53 Ų, Isopropyl 2-phenoxyisobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-phenoxyisobutyrate 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 Isopropyl 2-phenoxyisobutyrate?
The CAS number of Isopropyl 2-phenoxyisobutyrate is 72575-86-1.
What is the molecular formula of Isopropyl 2-phenoxyisobutyrate?
The molecular formula of Isopropyl 2-phenoxyisobutyrate is C13H18O3.
What is the molecular weight of Isopropyl 2-phenoxyisobutyrate?
The molecular weight of Isopropyl 2-phenoxyisobutyrate is 222.13 g/mol.
Where can I buy Isopropyl 2-phenoxyisobutyrate?
You can request a quote for Isopropyl 2-phenoxyisobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-phenoxyisobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-phenoxyisobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.