1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-
TL;DR: 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)- (CAS 62498-67-3) is a chemical compound with molecular formula C8H8F4N2O and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1,2,2-tetrafluoroethoxy)benzene-1,3-diamine
Also Known As: 4-(1,1,2,2-tetrafluoroethoxy)benzene-1,3-diamine, 4- -3-benzenediamine, DL-2,5-Bromophenylalanine, 4-(1,1,2,2-tetrafluoroethoxy)-3-benzenediamine, 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-
| Molecular Formula | C8H8F4N2O |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.05728 |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 62498-67-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)N)OC(C(F)F)(F)F |
| InChIKey | GZBDTUVDCDMCDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)- (CAS 62498-67-3), with molecular formula C8H8F4N2O and molecular weight 224.06 g/mol. IUPAC: 4-(1,1,2,2-tetrafluoroethoxy)benzene-1,3-diamine.
Chemical Property Profile of 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-
Property Insights of 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-. Following Lipinski's Rule of Five, 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)- has 2 hydrogen bond donor(s) and 7 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 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-?
The CAS number of 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)- is 62498-67-3.
What is the molecular formula of 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-?
The molecular formula of 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)- is C8H8F4N2O.
What is the molecular weight of 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-?
The molecular weight of 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)- is 224.06 g/mol.
Where can I buy 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-?
You can request a quote for 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediamine, 4-(1,1,2,2-tetrafluoroethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.