((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid
TL;DR: ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid (CAS 67318-05-2) is a chemical compound with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoacetic acid
Also Known As: ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid, 2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoacetic acid, [(3-Cyano-4,5-dimethyl-2-furyl)amino](oxo)acetic acid, [(3-Cyano-4,5-dimethylfuran-2-yl)imino](hydroxy)acetic acid, 2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-acetic acid
| Molecular Formula | C9H8N2O4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.0484 |
| Heavy Atoms | 15 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 67318-05-2 |
|---|---|
| SMILES | CC1=C(OC(=C1C#N)NC(=O)C(=O)O)C |
| InChIKey | BPFHWGRVXBPDKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid (CAS 67318-05-2), with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol. IUPAC: 2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoacetic acid.
Chemical Property Profile of ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid
Property Insights of ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid. Following Lipinski's Rule of Five, ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid has 2 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 ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid?
The CAS number of ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid is 67318-05-2.
What is the molecular formula of ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid?
The molecular formula of ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid is C9H8N2O4.
What is the molecular weight of ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid?
The molecular weight of ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid is 208.05 g/mol.
Where can I buy ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid?
You can request a quote for ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((3-Cyano-4,5-dimethyl-2-furyl)amino)(oxo)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.