2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine
TL;DR: 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine (CAS 97966-69-3) is a chemical compound with molecular formula C7H6F2N2O2 and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-difluoro-1,3-benzodioxole-5,6-diamine
Also Known As: 2,2-Difluorobenzo[d][1,3]dioxole-5,6-diamine, 2,2-difluoro-1,3-benzodioxole-5,6-diamine, 2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5,6-DIAMINE, 5,6-diamino-2,2-difluoro-1,3-benzodioxole, 1,3-Benzodioxole-5,6-diamine,2,2-difluoro-
| Molecular Formula | C7H6F2N2O2 |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 1.1725 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.03973 |
| Heavy Atoms | 13 |
| Complexity | 334.75534 |
Chemical Identifiers
| CAS Number | 97966-69-3 |
|---|---|
| SMILES | C1=C(C(=CC2=C1OC(O2)(F)F)N)N |
Product Overview
2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine (CAS 97966-69-3), with molecular formula C7H6F2N2O2 and molecular weight 188.04 g/mol. IUPAC: 2,2-difluoro-1,3-benzodioxole-5,6-diamine.
Chemical Property Profile of 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine
Property Insights of 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine
The XLogP value of 1.1725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine. Following Lipinski's Rule of Five, 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine has 2 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 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine?
The CAS number of 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine is 97966-69-3.
What is the molecular formula of 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine?
The molecular formula of 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine is C7H6F2N2O2.
What is the molecular weight of 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine?
The molecular weight of 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine is 188.04 g/mol.
Where can I buy 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine?
You can request a quote for 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine 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-2H-1,3-benzodioxole-5,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.