1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
TL;DR: 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CAS 60463-01-6) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
Also Known As: 1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid, 4-Methylcyclohexa-3,5-diene-1,2-cis-diol-1-carboxylic acid, 2,4-Cyclohexadiene-1-carboxylic acid, 1,6-dihydroxy-4-methyl-, cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 60463-01-6 |
|---|---|
| SMILES | CC1=CC(C(C=C1)(C(=O)O)O)O |
| InChIKey | KWQSYZVAOWYCNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid (CAS 60463-01-6), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: 1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid.
Chemical Property Profile of 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
Property Insights of 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid. Following Lipinski's Rule of Five, 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid has 3 hydrogen bond donor(s) and 4 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 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid?
The CAS number of 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid is 60463-01-6.
What is the molecular formula of 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid?
The molecular formula of 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid is C8H10O4.
What is the molecular weight of 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid?
The molecular weight of 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid is 170.06 g/mol.
Where can I buy 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid?
You can request a quote for 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.