Tert-butyl 2-(3-phenoxyphenyl)acetate
TL;DR: Tert-butyl 2-(3-phenoxyphenyl)acetate (CAS 98992-32-6) 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.
tert-butyl 2-(3-phenoxyphenyl)acetate
Also Known As: Tert-butyl 2-(3-phenoxyphenyl)acetate, tert-Butyl (3-phenoxyphenyl)acetate, N-Despropyl Pergolide 6-Carbonitrile
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 4.1 |
| 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 | 98992-32-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | HHQZGIOFLFAUKI-UHFFFAOYSA-N |
Product Overview
Tert-butyl 2-(3-phenoxyphenyl)acetate (CAS 98992-32-6), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: tert-butyl 2-(3-phenoxyphenyl)acetate.
Chemical Property Profile of Tert-butyl 2-(3-phenoxyphenyl)acetate
Property Insights of Tert-butyl 2-(3-phenoxyphenyl)acetate
The XLogP value of 4.1 indicates that Tert-butyl 2-(3-phenoxyphenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Tert-butyl 2-(3-phenoxyphenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-(3-phenoxyphenyl)acetate 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 Tert-butyl 2-(3-phenoxyphenyl)acetate?
The CAS number of Tert-butyl 2-(3-phenoxyphenyl)acetate is 98992-32-6.
What is the molecular formula of Tert-butyl 2-(3-phenoxyphenyl)acetate?
The molecular formula of Tert-butyl 2-(3-phenoxyphenyl)acetate is C18H20O3.
What is the molecular weight of Tert-butyl 2-(3-phenoxyphenyl)acetate?
The molecular weight of Tert-butyl 2-(3-phenoxyphenyl)acetate is 284.14 g/mol.
Where can I buy Tert-butyl 2-(3-phenoxyphenyl)acetate?
You can request a quote for Tert-butyl 2-(3-phenoxyphenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-(3-phenoxyphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-(3-phenoxyphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.