2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate
TL;DR: 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate (CAS 452939-22-9) is a chemical compound with molecular formula C9H11NO4 and molecular weight 197.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate
Also Known As: 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate, carbamoylmethyl 2,5-dimethylfuran-3-carboxylate, (2-amino-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate, 3-Furancarboxylic acid, 2,5-dimethyl-, 2-amino-2-oxoethyl ester (9CI)
| Molecular Formula | C9H11NO4 |
|---|---|
| Molecular Weight | 197.07 g/mol |
| LogP | 0.53854 |
| Topological Polar Surface Area | 82.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.0688 |
| Heavy Atoms | 14 |
| Complexity | 366.88892 |
Chemical Identifiers
| CAS Number | 452939-22-9 |
|---|---|
| SMILES | CC1=CC(=C(O1)C)C(=O)OCC(=O)N |
Product Overview
2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate (CAS 452939-22-9), with molecular formula C9H11NO4 and molecular weight 197.07 g/mol. IUPAC: (2-amino-2-oxoethyl) 2,5-dimethylfuran-3-carboxylate.
Chemical Property Profile of 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate
Property Insights of 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate
The XLogP value of 0.53854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate. The TPSA of 82.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate. Following Lipinski's Rule of Five, 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate has 1 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 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate?
The CAS number of 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate is 452939-22-9.
What is the molecular formula of 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate?
The molecular formula of 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate is C9H11NO4.
What is the molecular weight of 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate?
The molecular weight of 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate is 197.07 g/mol.
Where can I buy 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate?
You can request a quote for 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-2-oxoethyl 2,5-dimethylfuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.