5-((2-Furylmethylene)amino)isophthalonitrile
TL;DR: 5-((2-Furylmethylene)amino)isophthalonitrile (CAS 303095-02-5) is a chemical compound with molecular formula C13H7N3O and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-2-ylmethylideneamino)benzene-1,3-dicarbonitrile
Also Known As: 5-((2-FURYLMETHYLENE)AMINO)ISOPHTHALONITRILE, 5-((Furan-2-ylmethylene)amino)isophthalonitrile, 5-(2-furylmethylideneamino)benzene-1,3-dicarbonitrile, 5-(furan-2-ylmethylideneamino)benzene-1,3-dicarbonitrile, 684-004-3
| Molecular Formula | C13H7N3O |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 2.77356 |
| Topological Polar Surface Area | 73.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.05891 |
| Heavy Atoms | 17 |
| Complexity | 595.41956 |
Chemical Identifiers
| CAS Number | 303095-02-5 |
|---|---|
| SMILES | C1=COC(=C1)C=NC2=CC(=CC(=C2)C#N)C#N |
Product Overview
5-((2-Furylmethylene)amino)isophthalonitrile (CAS 303095-02-5), with molecular formula C13H7N3O and molecular weight 221.06 g/mol. IUPAC: 5-(furan-2-ylmethylideneamino)benzene-1,3-dicarbonitrile.
Chemical Property Profile of 5-((2-Furylmethylene)amino)isophthalonitrile
Property Insights of 5-((2-Furylmethylene)amino)isophthalonitrile
The XLogP value of 2.77356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((2-Furylmethylene)amino)isophthalonitrile. The TPSA of 73.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((2-Furylmethylene)amino)isophthalonitrile. Following Lipinski's Rule of Five, 5-((2-Furylmethylene)amino)isophthalonitrile has 0 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 5-((2-Furylmethylene)amino)isophthalonitrile?
The CAS number of 5-((2-Furylmethylene)amino)isophthalonitrile is 303095-02-5.
What is the molecular formula of 5-((2-Furylmethylene)amino)isophthalonitrile?
The molecular formula of 5-((2-Furylmethylene)amino)isophthalonitrile is C13H7N3O.
What is the molecular weight of 5-((2-Furylmethylene)amino)isophthalonitrile?
The molecular weight of 5-((2-Furylmethylene)amino)isophthalonitrile is 221.06 g/mol.
Where can I buy 5-((2-Furylmethylene)amino)isophthalonitrile?
You can request a quote for 5-((2-Furylmethylene)amino)isophthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((2-Furylmethylene)amino)isophthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-((2-Furylmethylene)amino)isophthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.