2,2-Dimethylpropyl 3-phenoxybenzoate
TL;DR: 2,2-Dimethylpropyl 3-phenoxybenzoate (CAS 98992-31-5) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropyl 3-phenoxybenzoate
Also Known As: 2,2-dimethylpropyl 3-phenoxybenzoate
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 98992-31-5 |
|---|---|
| SMILES | CC(C)(C)COC(=O)C1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | CMNWNEZSAAVRDT-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylpropyl 3-phenoxybenzoate (CAS 98992-31-5), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: 2,2-dimethylpropyl 3-phenoxybenzoate.
Chemical Property Profile of 2,2-Dimethylpropyl 3-phenoxybenzoate
Property Insights of 2,2-Dimethylpropyl 3-phenoxybenzoate
The XLogP value of 6.0 indicates that 2,2-Dimethylpropyl 3-phenoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,2-Dimethylpropyl 3-phenoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylpropyl 3-phenoxybenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Dimethylpropyl 3-phenoxybenzoate?
The CAS number of 2,2-Dimethylpropyl 3-phenoxybenzoate is 98992-31-5.
What is the molecular formula of 2,2-Dimethylpropyl 3-phenoxybenzoate?
The molecular formula of 2,2-Dimethylpropyl 3-phenoxybenzoate is C18H20O3.
What is the molecular weight of 2,2-Dimethylpropyl 3-phenoxybenzoate?
The molecular weight of 2,2-Dimethylpropyl 3-phenoxybenzoate is 284.14 g/mol.
Where can I buy 2,2-Dimethylpropyl 3-phenoxybenzoate?
You can request a quote for 2,2-Dimethylpropyl 3-phenoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylpropyl 3-phenoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropyl 3-phenoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.