3,4-Dihydroxy-3,4-dihydrobenzoic acid
TL;DR: 3,4-Dihydroxy-3,4-dihydrobenzoic acid (CAS 108646-25-9) 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.
3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid
Also Known As: 3,4-Dihydro-3,4-dihydroxybenzoic acid, 3,4-TRANS-CHD, 3,4-dihydroxy-3,4-dihydrobenzoic acid, 3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid, 1,5-Cyclohexadiene-1-carboxylic acid, 3,4-dihydroxy-
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | -0.8 |
| 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 | 108646-25-9 |
|---|---|
| SMILES | C1=CC(=CC(C1O)O)C(=O)O |
| InChIKey | HEZMWWAKWCSUCB-UHFFFAOYSA-N |
Product Overview
3,4-Dihydroxy-3,4-dihydrobenzoic acid (CAS 108646-25-9), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: 3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid.
Chemical Property Profile of 3,4-Dihydroxy-3,4-dihydrobenzoic acid
Property Insights of 3,4-Dihydroxy-3,4-dihydrobenzoic acid
The XLogP value of -0.8 indicates that 3,4-Dihydroxy-3,4-dihydrobenzoic acid 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 3,4-Dihydroxy-3,4-dihydrobenzoic acid. Following Lipinski's Rule of Five, 3,4-Dihydroxy-3,4-dihydrobenzoic 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 3,4-Dihydroxy-3,4-dihydrobenzoic acid?
The CAS number of 3,4-Dihydroxy-3,4-dihydrobenzoic acid is 108646-25-9.
What is the molecular formula of 3,4-Dihydroxy-3,4-dihydrobenzoic acid?
The molecular formula of 3,4-Dihydroxy-3,4-dihydrobenzoic acid is C7H8O4.
What is the molecular weight of 3,4-Dihydroxy-3,4-dihydrobenzoic acid?
The molecular weight of 3,4-Dihydroxy-3,4-dihydrobenzoic acid is 156.04 g/mol.
Where can I buy 3,4-Dihydroxy-3,4-dihydrobenzoic acid?
You can request a quote for 3,4-Dihydroxy-3,4-dihydrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroxy-3,4-dihydrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroxy-3,4-dihydrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.