Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
TL;DR: Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate (CAS 898757-51-2) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
Also Known As: ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate, ethyl 5-amino-4-cyano-2-methyl-3-furoate, IFLab1_000861, 2-(chloromethyl)quinazolin-4-ol, 3-Furancarboxylic acid, 5-amino-4-cyano-2-methyl-, ethyl ester
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 898757-51-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C1C#N)N)C |
| InChIKey | VMLFLMJTRHHRBL-UHFFFAOYSA-N |
Product Overview
Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate (CAS 898757-51-2), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate.
Chemical Property Profile of Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
Property Insights of Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate 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 Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate?
The CAS number of Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate is 898757-51-2.
What is the molecular formula of Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate?
The molecular formula of Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate is C9H10N2O3.
What is the molecular weight of Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate?
The molecular weight of Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate is 194.07 g/mol.
Where can I buy Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate?
You can request a quote for Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.