5,6-二羟基环己-1,3-二烯-1-甲酸
TL;DR: 5,6-二羟基环己-1,3-二烯-1-甲酸 (CAS 100459-00-5) is a chemical compound with molecular formula C7H8O4 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-二羟基环己-1,3-二烯-1-甲酸
5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
Also Known As: 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid, 2,3-dihydroxy-2,3-dihydrobenzoic acid, 2,3-dihydro-2,3-dihydroxybenzoic acid, J2.365.935B, 5,6-dihydroxy-1,3-cyclohexadiene-1-carboxylic acid
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.04225 |
| Heavy Atoms | 11 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 100459-00-5 |
|---|---|
| SMILES | C1=CC(C(C(=C1)C(=O)O)O)O |
| InChIKey | INCSWYKICIYAHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-二羟基环己-1,3-二烯-1-甲酸 (CAS 100459-00-5), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid.
Chemical Property Profile of 5,6-二羟基环己-1,3-二烯-1-甲酸
Property Insights of 5,6-二羟基环己-1,3-二烯-1-甲酸
The XLogP value of -0.3 indicates that 5,6-二羟基环己-1,3-二烯-1-甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-二羟基环己-1,3-二烯-1-甲酸. Following Lipinski's Rule of Five, 5,6-二羟基环己-1,3-二烯-1-甲酸 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 5,6-二羟基环己-1,3-二烯-1-甲酸?
The CAS number of 5,6-二羟基环己-1,3-二烯-1-甲酸 is 100459-00-5.
What is the molecular formula of 5,6-二羟基环己-1,3-二烯-1-甲酸?
The molecular formula of 5,6-二羟基环己-1,3-二烯-1-甲酸 is C7H8O4.
What is the molecular weight of 5,6-二羟基环己-1,3-二烯-1-甲酸?
The molecular weight of 5,6-二羟基环己-1,3-二烯-1-甲酸 is 156.04 g/mol.
Where can I buy 5,6-二羟基环己-1,3-二烯-1-甲酸?
You can request a quote for 5,6-二羟基环己-1,3-二烯-1-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-二羟基环己-1,3-二烯-1-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5,6-二羟基环己-1,3-二烯-1-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.