![3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid structure](/static/products/524/52486-80-3.png)
3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid
TL;DR: 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid (CAS 52486-80-3) is a chemical compound with molecular formula C22H16O12 and molecular weight 472.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid
Also Known As: Trigentisic acid, Rehibin, Compound 21 P, 21 P, (C22-H16-O12)x-
| Molecular Formula | C22H16O12 |
|---|---|
| Molecular Weight | 472.06 g/mol |
| LogP | 2.195 |
| Topological Polar Surface Area | 233.28 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.06418 |
| Heavy Atoms | 34 |
| Complexity | 1193.4891 |
Chemical Identifiers
| CAS Number | 52486-80-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(C2=C(C(=CC(=C2)O)C(=O)O)O)C3=C(C(=CC(=C3)O)C(=O)O)O)O)C(=O)O)O |
Product Overview
3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid (CAS 52486-80-3), with molecular formula C22H16O12 and molecular weight 472.06 g/mol. IUPAC: 3-[bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid.
Chemical Property Profile of 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid
Property Insights of 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid
The XLogP value of 2.195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid. The TPSA of 233.28 Ų indicates high polarity, suggesting 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid has 9 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 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid?
The CAS number of 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid is 52486-80-3.
What is the molecular formula of 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid?
The molecular formula of 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid is C22H16O12.
What is the molecular weight of 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid?
The molecular weight of 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid is 472.06 g/mol.
Where can I buy 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid?
You can request a quote for 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[Bis(3-carboxy-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.