3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate
TL;DR: 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate (CAS 452297-59-5) is a chemical compound with molecular formula C11H13NO6 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-2-oxobutyl) 5-nitrofuran-2-carboxylate
Also Known As: 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate, (3,3-dimethyl-2-oxobutyl) 5-nitrofuran-2-carboxylate, (3,3-dimethyl-2-oxo-butyl) 5-nitrofuran-2-carboxylate
| Molecular Formula | C11H13NO6 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 1.9598 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.07428 |
| Heavy Atoms | 18 |
| Complexity | 481.96802 |
Chemical Identifiers
| CAS Number | 452297-59-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)COC(=O)C1=CC=C(O1)[N+](=O)[O-] |
Product Overview
3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate (CAS 452297-59-5), with molecular formula C11H13NO6 and molecular weight 255.07 g/mol. IUPAC: (3,3-dimethyl-2-oxobutyl) 5-nitrofuran-2-carboxylate.
Chemical Property Profile of 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate
Property Insights of 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate
The XLogP value of 1.9598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate. The TPSA of 99.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate. Following Lipinski's Rule of Five, 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate has 0 hydrogen bond donor(s) and 6 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 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate?
The CAS number of 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate is 452297-59-5.
What is the molecular formula of 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate?
The molecular formula of 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate is C11H13NO6.
What is the molecular weight of 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate?
The molecular weight of 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate is 255.07 g/mol.
Where can I buy 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate?
You can request a quote for 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.