邻甲酚酞
TL;DR: 邻甲酚酞 (CAS 596-27-0) 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.
邻甲酚酞
3,3-bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1-one
Also Known As: o-Cresolphthalein, Cresolphthalein, o-Cresolphalein, 3,3'-Dimethylphenolphthalein, 3',3''-Dimethylphenolphthalein
| Molecular Formula | C22H18O4 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.1205 |
| Heavy Atoms | 26 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 596-27-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4)O)C)O |
| InChIKey | CPBJMKMKNCRKQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻甲酚酞 (CAS 596-27-0), with molecular formula C22H18O4 and molecular weight 346.12 g/mol. IUPAC: 3,3-bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1-one.
Chemical Property Profile of 邻甲酚酞
Property Insights of 邻甲酚酞
The XLogP value of 4.5 indicates that 邻甲酚酞 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻甲酚酞. Following Lipinski's Rule of Five, 邻甲酚酞 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 邻甲酚酞?
The CAS number of 邻甲酚酞 is 596-27-0.
What is the molecular formula of 邻甲酚酞?
The molecular formula of 邻甲酚酞 is C22H18O4.
What is the molecular weight of 邻甲酚酞?
The molecular weight of 邻甲酚酞 is 346.12 g/mol.
Where can I buy 邻甲酚酞?
You can request a quote for 邻甲酚酞 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻甲酚酞?
Yes, KEHONG BIO provides custom synthesis services for 邻甲酚酞 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.