2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid
TL;DR: 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid (CAS 469-65-8) is a chemical compound with molecular formula C11H12O7 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
Also Known As: Piscidic acid, Piscidein, Piscidinsaure, Aquacacteen, (+)-Piscidic acid
| Molecular Formula | C11H12O7 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0583 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
| Melting Point | 186 - 187 °C |
Chemical Identifiers
| CAS Number | 469-65-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(C(=O)O)O)(C(=O)O)O)O |
| InChIKey | TUODPMGCCJSJRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid (CAS 469-65-8), with molecular formula C11H12O7 and molecular weight 256.06 g/mol. IUPAC: 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid.
Chemical Property Profile of 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid
Property Insights of 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid
The XLogP value of -0.5 indicates that 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid. Following Lipinski's Rule of Five, 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid has 5 hydrogen bond donor(s) and 7 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 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid?
The CAS number of 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid is 469-65-8.
What is the molecular formula of 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid?
The molecular formula of 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid is C11H12O7.
What is the molecular weight of 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid?
The molecular weight of 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid is 256.06 g/mol.
Where can I buy 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid?
You can request a quote for 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydroxy-2-((4-hydroxyphenyl)methyl)butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.