5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile
TL;DR: 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile (CAS 76088-22-7) is a chemical compound with molecular formula C8H3Cl3N4O and molecular weight 275.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(trichloromethyl)-2H-furan-3,3,4-tricarbonitrile
Also Known As: 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile, 2-trichloromethyl-3,3,4-tricyano-5-amino-2,3-dihydrofuran, A3247/0137937, 5-amino-2-(trichloromethyl)-2H-furan-3,3,4-tricarbonitrile, 5-Amino-2-(tricholromethyl)-3,3,4(2H)-furantricarbonitrile
| Molecular Formula | C8H3Cl3N4O |
|---|---|
| Molecular Weight | 275.94 g/mol |
| LogP | 1.48284 |
| Topological Polar Surface Area | 106.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 275.93726 |
| Heavy Atoms | 16 |
| Complexity | 459.47278 |
Chemical Identifiers
| CAS Number | 76088-22-7 |
|---|---|
| SMILES | C(#N)C1=C(OC(C1(C#N)C#N)C(Cl)(Cl)Cl)N |
Product Overview
5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile (CAS 76088-22-7), with molecular formula C8H3Cl3N4O and molecular weight 275.94 g/mol. IUPAC: 5-amino-2-(trichloromethyl)-2H-furan-3,3,4-tricarbonitrile.
Chemical Property Profile of 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile
Property Insights of 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile
The XLogP value of 1.48284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile. The TPSA of 106.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile. Following Lipinski's Rule of Five, 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile has 1 hydrogen bond donor(s) and 5 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 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile?
The CAS number of 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile is 76088-22-7.
What is the molecular formula of 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile?
The molecular formula of 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile is C8H3Cl3N4O.
What is the molecular weight of 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile?
The molecular weight of 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile is 275.94 g/mol.
Where can I buy 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile?
You can request a quote for 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-2-(trichloromethyl)furan-3,3,4(2H)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.