cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid
TL;DR: cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid (CAS 130073-64-2) is a chemical compound with molecular formula C8H8O6 and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5R)-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid
Also Known As: Phthalate-4,5-cis-dihydrodiol, cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid, phthalic acid cis-4,5-dihydrodiol, Phthalic Acid 4,5-cis-Dihydrodiol, (4S,5R)-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid
| Molecular Formula | C8H8O6 |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.03209 |
| Heavy Atoms | 14 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 130073-64-2 |
|---|---|
| SMILES | C1=C(C(=C[C@@H]([C@@H]1O)O)C(=O)O)C(=O)O |
| InChIKey | MFSRJRFDIILHFC-OLQVQODUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid (CAS 130073-64-2), with molecular formula C8H8O6 and molecular weight 200.03 g/mol. IUPAC: (4S,5R)-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid.
Chemical Property Profile of cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid
Property Insights of cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid
The XLogP value of -1.6 indicates that cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid. Following Lipinski's Rule of Five, cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic 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 cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid?
The CAS number of cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid is 130073-64-2.
What is the molecular formula of cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid?
The molecular formula of cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid is C8H8O6.
What is the molecular weight of cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid?
The molecular weight of cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid is 200.03 g/mol.
Where can I buy cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid?
You can request a quote for cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for cis-4,5-Dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.