3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone
TL;DR: 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone (CAS 4270-78-4) is a chemical compound with molecular formula C22H18O4 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(4-hydroxy-2-methylphenyl)-2-benzofuran-1-one
Also Known As: 3,3-bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone, 3,3-bis(4-hydroxy-2-methylphenyl)-2-benzofuran-1-one, Phenolphthalein, 2',2''-dimethyl-, 3,3-bis(4-hydroxy-2-methyl-phenyl)phthalide, 3,3-bis(4-hydroxy-2-methylphenyl)-2-benzofuran-1(3H)-one
| Molecular Formula | C22H18O4 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 4.17694 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.1205 |
| Heavy Atoms | 26 |
| Complexity | 984.56226 |
Chemical Identifiers
| CAS Number | 4270-78-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)O)C |
Product Overview
3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone (CAS 4270-78-4), with molecular formula C22H18O4 and molecular weight 346.12 g/mol. IUPAC: 3,3-bis(4-hydroxy-2-methylphenyl)-2-benzofuran-1-one.
Chemical Property Profile of 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone
Property Insights of 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone
The XLogP value of 4.17694 indicates that 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone. Following Lipinski's Rule of Five, 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone has 2 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 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone?
The CAS number of 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone is 4270-78-4.
What is the molecular formula of 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone?
The molecular formula of 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone is C22H18O4.
What is the molecular weight of 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone?
The molecular weight of 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone is 346.12 g/mol.
Where can I buy 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone?
You can request a quote for 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.