1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro-
TL;DR: 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro- (CAS 31845-30-4) is a chemical compound with molecular formula C10H4F4N2 and molecular weight 228.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)acetonitrile
Also Known As: Peakdale1_000342, 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro-, 3-cyanomethyl-4,5,6,7-tetrafluoroindole, 4,5,6,7-tetrafluoro-3-cyanomethylindole, 2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)acetonitrile
| Molecular Formula | C10H4F4N2 |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | 2.79038 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.03107 |
| Heavy Atoms | 16 |
| Complexity | 609.53217 |
Chemical Identifiers
| CAS Number | 31845-30-4 |
|---|---|
| SMILES | C1=C(C2=C(N1)C(=C(C(=C2F)F)F)F)CC#N |
Product Overview
1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro- (CAS 31845-30-4), with molecular formula C10H4F4N2 and molecular weight 228.03 g/mol. IUPAC: 2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)acetonitrile.
Chemical Property Profile of 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro-
Property Insights of 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro-
The XLogP value of 2.79038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro-. With a topological polar surface area (TPSA) of 39.58 Ų, 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro- has 1 hydrogen bond donor(s) and 1 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 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro-?
The CAS number of 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro- is 31845-30-4.
What is the molecular formula of 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro-?
The molecular formula of 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro- is C10H4F4N2.
What is the molecular weight of 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro-?
The molecular weight of 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro- is 228.03 g/mol.
Where can I buy 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro-?
You can request a quote for 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-3-acetonitrile, 4,5,6,7-tetrafluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.