3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide
TL;DR: 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide (CAS 30723-78-5) is a chemical compound with molecular formula C18H17ClO4 and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylperoxy-3-(4-chlorophenyl)-2-benzofuran-1-one
Also Known As: 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide, 3-(tert-butylperoxy)-3-(4-chlorophenyl)-2-benzofuran-1(3h)-one, 3-tert-butylperoxy-3-(4-chlorophenyl)-2-benzofuran-1-one, 1(3H)-Isobenzofuranone,3-(4-chlorophenyl)-3-[(1,1-dimethylethyl)dioxy]-, 3-(4-Chlorophenyl)-3-[(1,1-dimethylethyl)peroxy]-1(3H)-isobenzofuranone
| Molecular Formula | C18H17ClO4 |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.08154 |
| Heavy Atoms | 23 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 30723-78-5 |
|---|---|
| SMILES | CC(C)(C)OOC1(C2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl |
| InChIKey | HUIRLOSIYSITTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide (CAS 30723-78-5), with molecular formula C18H17ClO4 and molecular weight 332.08 g/mol. IUPAC: 3-tert-butylperoxy-3-(4-chlorophenyl)-2-benzofuran-1-one.
Chemical Property Profile of 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide
Property Insights of 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide
The XLogP value of 4.5 indicates that 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide has 0 hydrogen bond donor(s) and 4 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 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide?
The CAS number of 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide is 30723-78-5.
What is the molecular formula of 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide?
The molecular formula of 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide is C18H17ClO4.
What is the molecular weight of 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide?
The molecular weight of 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide is 332.08 g/mol.
Where can I buy 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide?
You can request a quote for 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-Butyldioxy)-3-(4-chlorophenyl)phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.