3-(Tert-butyl)-3-hydroxyphthalide
TL;DR: 3-(Tert-butyl)-3-hydroxyphthalide (CAS 54537-69-8) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-3-hydroxy-2-benzofuran-1-one
Also Known As: 3-(Tert-butyl)-3-hydroxyphthalide, 3-(tert-Butyl)-3-hydroxyisobenzofuran-1(3H)-one, 3-hydroxy-3-tert-butyl-isobenzofuran-1-one, 3-tert-butyl-3-hydroxy-2-benzofuran-1-one, 3-tert-butyl-3-hydroxy-2-benzofuran-1(3H)-one
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.0482 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 417.12057 |
Chemical Identifiers
| CAS Number | 54537-69-8 |
|---|---|
| SMILES | CC(C)(C)C1(C2=CC=CC=C2C(=O)O1)O |
Product Overview
3-(Tert-butyl)-3-hydroxyphthalide (CAS 54537-69-8), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 3-tert-butyl-3-hydroxy-2-benzofuran-1-one.
Chemical Property Profile of 3-(Tert-butyl)-3-hydroxyphthalide
Property Insights of 3-(Tert-butyl)-3-hydroxyphthalide
The XLogP value of 2.0482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Tert-butyl)-3-hydroxyphthalide. With a topological polar surface area (TPSA) of 46.53 Ų, 3-(Tert-butyl)-3-hydroxyphthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Tert-butyl)-3-hydroxyphthalide has 1 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 3-(Tert-butyl)-3-hydroxyphthalide?
The CAS number of 3-(Tert-butyl)-3-hydroxyphthalide is 54537-69-8.
What is the molecular formula of 3-(Tert-butyl)-3-hydroxyphthalide?
The molecular formula of 3-(Tert-butyl)-3-hydroxyphthalide is C12H14O3.
What is the molecular weight of 3-(Tert-butyl)-3-hydroxyphthalide?
The molecular weight of 3-(Tert-butyl)-3-hydroxyphthalide is 206.09 g/mol.
Where can I buy 3-(Tert-butyl)-3-hydroxyphthalide?
You can request a quote for 3-(Tert-butyl)-3-hydroxyphthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Tert-butyl)-3-hydroxyphthalide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Tert-butyl)-3-hydroxyphthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.