Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl-
TL;DR: Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl- (CAS 13017-64-6) is a chemical compound with molecular formula C25H22O9 and molecular weight 466.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-2-hydroxy-3-methylbenzoic acid
Also Known As: (tri(COOH,OH,Me)Ph)Me, Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl-, Benzoic acid, 3,3',3''-methylidynetris[6-hydroxy-5-methyl-, 5,5',5''-Methanetriyltris(2-hydroxy-3-methylbenzoic acid), 3,3',3''-methanetriyltris(6-hydroxy-5-methylbenzoic acid)
| Molecular Formula | C25H22O9 |
|---|---|
| Molecular Weight | 466.13 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.12637 |
| Heavy Atoms | 34 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 13017-64-6 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(=O)O)C(C2=CC(=C(C(=C2)C)O)C(=O)O)C3=CC(=C(C(=C3)C)O)C(=O)O |
| InChIKey | PLBNGKSYVOQQDX-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl- (CAS 13017-64-6), with molecular formula C25H22O9 and molecular weight 466.13 g/mol. IUPAC: 5-[bis(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-2-hydroxy-3-methylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl-
Property Insights of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl-
The XLogP value of 5.6 indicates that Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl- has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl-?
The CAS number of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl- is 13017-64-6.
What is the molecular formula of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl-?
The molecular formula of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl- is C25H22O9.
What is the molecular weight of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl-?
The molecular weight of Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl- is 466.13 g/mol.
Where can I buy Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl-?
You can request a quote for Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,3',3''-methylidynetris(6-hydroxy-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.