5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile
TL;DR: 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile (CAS 76088-21-6) is a chemical compound with molecular formula C8H6N4O and molecular weight 174.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-methyl-2H-furan-3,3,4-tricarbonitrile
Also Known As: 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile, 5-amino-2-methyl-2H-furan-3,3,4-tricarbonitrile, 2-methyl-3,3,4-tricyano-5-amino-2,3-dihydrofuran, 5-Amino-2-methyl-3,3,4(2H)-furantricarbonitrile, 5-Amino-2-methyl-3,3,4(2H)-furantricarbonitrile #
| Molecular Formula | C8H6N4O |
|---|---|
| Molecular Weight | 174.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.05415 |
| Heavy Atoms | 13 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 76088-21-6 |
|---|---|
| SMILES | CC1C(C(=C(O1)N)C#N)(C#N)C#N |
| InChIKey | RJWGCTISWAMJQU-UHFFFAOYSA-N |
Product Overview
5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile (CAS 76088-21-6), with molecular formula C8H6N4O and molecular weight 174.05 g/mol. IUPAC: 5-amino-2-methyl-2H-furan-3,3,4-tricarbonitrile.
Chemical Property Profile of 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile
Property Insights of 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile. Following Lipinski's Rule of Five, 5-amino-2-methylfuran-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-methylfuran-3,3,4(2H)-tricarbonitrile?
The CAS number of 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile is 76088-21-6.
What is the molecular formula of 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile?
The molecular formula of 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile is C8H6N4O.
What is the molecular weight of 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile?
The molecular weight of 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile is 174.05 g/mol.
Where can I buy 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile?
You can request a quote for 5-amino-2-methylfuran-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-methylfuran-3,3,4(2H)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-2-methylfuran-3,3,4(2H)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.