1,4-Benzodioxane-6-carboxylic Acid
TL;DR: 1,4-Benzodioxane-6-carboxylic Acid (CAS 261763-45-5) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
Also Known As: 1,4-Benzodioxane-6-carboxylic acid, 2,3-dihydro-1,4-benzodioxine-6-carboxylic acid, null, zlchem 485, 3,4-(Ethylenedioxy)benzoic acid
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.156 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 345.468 |
Chemical Identifiers
| CAS Number | 261763-45-5 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)O |
Product Overview
1,4-Benzodioxane-6-carboxylic Acid (CAS 261763-45-5), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 2,3-dihydro-1,4-benzodioxine-6-carboxylic acid.
Chemical Property Profile of 1,4-Benzodioxane-6-carboxylic Acid
Property Insights of 1,4-Benzodioxane-6-carboxylic Acid
The XLogP value of 1.156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzodioxane-6-carboxylic Acid. With a topological polar surface area (TPSA) of 55.76 Ų, 1,4-Benzodioxane-6-carboxylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodioxane-6-carboxylic Acid has 1 hydrogen bond donor(s) and 3 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 1,4-Benzodioxane-6-carboxylic Acid?
The CAS number of 1,4-Benzodioxane-6-carboxylic Acid is 261763-45-5.
What is the molecular formula of 1,4-Benzodioxane-6-carboxylic Acid?
The molecular formula of 1,4-Benzodioxane-6-carboxylic Acid is C9H8O4.
What is the molecular weight of 1,4-Benzodioxane-6-carboxylic Acid?
The molecular weight of 1,4-Benzodioxane-6-carboxylic Acid is 180.04 g/mol.
Where can I buy 1,4-Benzodioxane-6-carboxylic Acid?
You can request a quote for 1,4-Benzodioxane-6-carboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzodioxane-6-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzodioxane-6-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.