o-Cresolphthalein
TL;DR: o-Cresolphthalein (CAS 652-08-4) 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.
2-[(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid
Also Known As: o-Cresolphthalein, NCIStruc1_001178, NCIStruc2_000822, Phenolphthalein, 3',3''-dimethyl-, NCI60_000114
| Molecular Formula | C22H18O4 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.1205 |
| Heavy Atoms | 26 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 652-08-4 |
|---|---|
| SMILES | CC1=CC(=C(C2=CC(=C(C=C2)O)C)C3=CC=CC=C3C(=O)O)C=CC1=O |
| InChIKey | VRKTWSJIQFFUOJ-UHFFFAOYSA-N |
Product Overview
o-Cresolphthalein (CAS 652-08-4), with molecular formula C22H18O4 and molecular weight 346.12 g/mol. IUPAC: 2-[(4-hydroxy-3-methylphenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid.
Chemical Property Profile of o-Cresolphthalein
Property Insights of o-Cresolphthalein
The XLogP value of 4.5 indicates that o-Cresolphthalein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Cresolphthalein. Following Lipinski's Rule of Five, o-Cresolphthalein 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 o-Cresolphthalein?
The CAS number of o-Cresolphthalein is 652-08-4.
What is the molecular formula of o-Cresolphthalein?
The molecular formula of o-Cresolphthalein is C22H18O4.
What is the molecular weight of o-Cresolphthalein?
The molecular weight of o-Cresolphthalein is 346.12 g/mol.
Where can I buy o-Cresolphthalein?
You can request a quote for o-Cresolphthalein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Cresolphthalein?
Yes, KEHONG BIO provides custom synthesis services for o-Cresolphthalein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.