3,6-Dihydroxyphthalic acid
TL;DR: 3,6-Dihydroxyphthalic acid (CAS 3786-47-8) is a chemical compound with molecular formula C8H6O6 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dihydroxyphthalic acid
Also Known As: 3,6-dihydroxyphthalic acid, 36-Dihydroxyphthalic acid, 3,6-DIHYDROXYPHTHALICACID, 3,6-dihydroxybenzene-1,2-dicarboxylic acid, 3 pound not6-Dihydroxyphthalic acid
| Molecular Formula | C8H6O6 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.01643 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 3786-47-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1O)C(=O)O)C(=O)O)O |
| InChIKey | UDKMUSGWGWZJBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Dihydroxyphthalic acid (CAS 3786-47-8), with molecular formula C8H6O6 and molecular weight 198.02 g/mol. IUPAC: 3,6-dihydroxyphthalic acid.
Chemical Property Profile of 3,6-Dihydroxyphthalic acid
Property Insights of 3,6-Dihydroxyphthalic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dihydroxyphthalic acid. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dihydroxyphthalic acid. Following Lipinski's Rule of Five, 3,6-Dihydroxyphthalic acid has 4 hydrogen bond donor(s) and 6 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 3,6-Dihydroxyphthalic acid?
The CAS number of 3,6-Dihydroxyphthalic acid is 3786-47-8.
What is the molecular formula of 3,6-Dihydroxyphthalic acid?
The molecular formula of 3,6-Dihydroxyphthalic acid is C8H6O6.
What is the molecular weight of 3,6-Dihydroxyphthalic acid?
The molecular weight of 3,6-Dihydroxyphthalic acid is 198.02 g/mol.
Where can I buy 3,6-Dihydroxyphthalic acid?
You can request a quote for 3,6-Dihydroxyphthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dihydroxyphthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dihydroxyphthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.