(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid
TL;DR: (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid (CAS 161578-47-8) is a chemical compound with molecular formula C8H8O6 and molecular weight 200.03209 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid
Also Known As: Terephthalate-1,2-cis-dihydrodiol, (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid, J2.374.430I, cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,4-dicarboxylate, (1R,6S)-Dihydroxycyclohexa-2,4-diene-1,4-dicarboxylate
Technical Specifications
| Molecular Formula | C8H8O6 |
| Molecular Weight | 200.03209 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.03209 Da |
| Heavy Atoms | 14 |
| Complexity | 342.0 |
| SMILES | C1=C[C@@]([C@H](C=C1C(=O)O)O)(C(=O)O)O |
| InChIKey | UKFMEOHAOCKDOL-YLWLKBPMSA-N |
Chemical Property Profile of (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid
Property Insights of (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid
The XLogP value of -0.7 indicates that (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-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 (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid. Following Lipinski's Rule of Five, (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-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
What is the CAS number of (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid?
The CAS number of (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid is 161578-47-8.
What is the molecular formula of (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid?
The molecular formula of (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid is C8H8O6.
What is the molecular weight of (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid?
The molecular weight of (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid is 200.03209 g/mol.
Where can I buy (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid?
You can request a quote for (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid?
Yes, CoreyChem provides custom synthesis services for (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.