4,4',4''-Methanetriyltribenzoic acid
TL;DR: 4,4',4''-Methanetriyltribenzoic acid (CAS 113402-33-8) is a chemical compound with molecular formula C22H16O6 and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(4-carboxyphenyl)methyl]benzoic acid
Also Known As: 4,4',4''-Methanetriyltribenzoic acid, 4-[bis(4-carboxyphenyl)methyl]benzoic Acid, Benzoic acid, 4,4',4''-methylidynetris-, J2.620.927G, 4,4 ,4 -Methylidynetribenzoic acid
| Molecular Formula | C22H16O6 |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 3.9614 |
| Topological Polar Surface Area | 111.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.0947 |
| Heavy Atoms | 28 |
| Complexity | 881.42896 |
Chemical Identifiers
| CAS Number | 113402-33-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O)C(=O)O |
Product Overview
4,4',4''-Methanetriyltribenzoic acid (CAS 113402-33-8), with molecular formula C22H16O6 and molecular weight 376.09 g/mol. IUPAC: 4-[bis(4-carboxyphenyl)methyl]benzoic acid.
Chemical Property Profile of 4,4',4''-Methanetriyltribenzoic acid
Property Insights of 4,4',4''-Methanetriyltribenzoic acid
The XLogP value of 3.9614 indicates that 4,4',4''-Methanetriyltribenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4',4''-Methanetriyltribenzoic acid. Following Lipinski's Rule of Five, 4,4',4''-Methanetriyltribenzoic acid has 3 hydrogen bond donor(s) and 3 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 4,4',4''-Methanetriyltribenzoic acid?
The CAS number of 4,4',4''-Methanetriyltribenzoic acid is 113402-33-8.
What is the molecular formula of 4,4',4''-Methanetriyltribenzoic acid?
The molecular formula of 4,4',4''-Methanetriyltribenzoic acid is C22H16O6.
What is the molecular weight of 4,4',4''-Methanetriyltribenzoic acid?
The molecular weight of 4,4',4''-Methanetriyltribenzoic acid is 376.09 g/mol.
Where can I buy 4,4',4''-Methanetriyltribenzoic acid?
You can request a quote for 4,4',4''-Methanetriyltribenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4',4''-Methanetriyltribenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4',4''-Methanetriyltribenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.