2,2-Difluoro-5-formylbenzodioxole
TL;DR: 2,2-Difluoro-5-formylbenzodioxole (CAS 656-42-8) is a chemical compound with molecular formula C8H4F2O3 and molecular weight 186.01 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-carbaldehyde
Also Known As: 2,2-Difluorobenzo[d][1,3]dioxole-5-carbaldehyde, 2,2-Difluorobenzodioxole-5-carboxaldehyde, 2,2-Difluoro-5-formylbenzodioxole, 2,2-Difluoro-1,3-benzodioxole-5-carboxaldehyde, 2,2-difluoro-1,3-benzodioxole-5-carbaldehyde
| Molecular Formula | C8H4F2O3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 1.8206 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.01285 |
| Heavy Atoms | 13 |
| Complexity | 362.4068 |
Chemical Identifiers
| CAS Number | 656-42-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1C=O)OC(O2)(F)F |
Product Overview
2,2-Difluoro-5-formylbenzodioxole (CAS 656-42-8), with molecular formula C8H4F2O3 and molecular weight 186.01 g/mol. IUPAC: 2,2-difluoro-1,3-benzodioxole-5-carbaldehyde.
Chemical Property Profile of 2,2-Difluoro-5-formylbenzodioxole
Property Insights of 2,2-Difluoro-5-formylbenzodioxole
The XLogP value of 1.8206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Difluoro-5-formylbenzodioxole. With a topological polar surface area (TPSA) of 35.53 Ų, 2,2-Difluoro-5-formylbenzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Difluoro-5-formylbenzodioxole has 0 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 2,2-Difluoro-5-formylbenzodioxole?
The CAS number of 2,2-Difluoro-5-formylbenzodioxole is 656-42-8.
What is the molecular formula of 2,2-Difluoro-5-formylbenzodioxole?
The molecular formula of 2,2-Difluoro-5-formylbenzodioxole is C8H4F2O3.
What is the molecular weight of 2,2-Difluoro-5-formylbenzodioxole?
The molecular weight of 2,2-Difluoro-5-formylbenzodioxole is 186.01 g/mol.
Where can I buy 2,2-Difluoro-5-formylbenzodioxole?
You can request a quote for 2,2-Difluoro-5-formylbenzodioxole 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-5-formylbenzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Difluoro-5-formylbenzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.