2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid
TL;DR: 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid (CAS 656-46-2) is a chemical compound with molecular formula C8H4F2O4 and molecular weight 202.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-difluoro-1,3-benzodioxole-5-carboxylic acid
Also Known As: 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid, 2,2-Difluorobenzo[d][1,3]dioxole-5-carboxylic acid, 2,2-Difluorobenzodioxole-5-carboxylic acid, 2,2-DIFLUORO-2H-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID, BUTTPARK 29\01-69
| Molecular Formula | C8H4F2O4 |
|---|---|
| Molecular Weight | 202.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.00777 |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 656-46-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)OC(O2)(F)F |
| InChIKey | VJLDRFCNFNQTTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid (CAS 656-46-2), with molecular formula C8H4F2O4 and molecular weight 202.01 g/mol. IUPAC: 2,2-difluoro-1,3-benzodioxole-5-carboxylic acid.
Chemical Property Profile of 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid
Property Insights of 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid has 1 hydrogen bond donor(s) and 6 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 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid?
The CAS number of 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid is 656-46-2.
What is the molecular formula of 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid?
The molecular formula of 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid is C8H4F2O4.
What is the molecular weight of 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid?
The molecular weight of 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid is 202.01 g/mol.
Where can I buy 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid?
You can request a quote for 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.