Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester
TL;DR: Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester (CAS 129749-39-9) is a chemical compound with molecular formula C25H22O9 and molecular weight 466.12637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-[bis(4-hydroxy-3-methoxycarbonylphenyl)methyl]-2-hydroxybenzoate
Also Known As: triMeOCOtriOHPhMe, Trimethyl 5,5',5''-Methanetriyltris(2-hydroxybenzoate), Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester, 3,3',3''-Tricarbomethoxy-4,4',4''-trihydroxytriphenylmethane, Trimethyl 3,3',3''-methanetriyltris(6-hydroxybenzoate)
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C25H22O9 |
| Molecular Weight | 466.12637 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.12637 Da |
| Heavy Atoms | 34 |
| Complexity | 630.0 |
| SMILES | COC(=O)C1=C(C=CC(=C1)C(C2=CC(=C(C=C2)O)C(=O)OC)C3=CC(=C(C=C3)O)C(=O)OC)O |
| InChIKey | ALWFWXVOLUZVTO-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester
Property Insights of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester
The XLogP value of 5.4 indicates that Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester?
The CAS number of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester is 129749-39-9.
What is the molecular formula of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester?
The molecular formula of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester is C25H22O9.
What is the molecular weight of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester?
The molecular weight of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester is 466.12637 g/mol.
Where can I buy Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester?
You can request a quote for Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-, trimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.