N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid
TL;DR: N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid (CAS 77694-22-5) is a chemical compound with molecular formula C12H19NO5 and molecular weight 257.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-4-oxobutanoate
Also Known As: N-(5,5-Dimethyl-2-oxotetrahydro-3-furyl)succinamic acid ethyl ester, ethyl 4-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-4-oxobutanoate, Succinamic acid, N-(5,5-dimethyl-2-oxotetrahydro-3-furyl)-, ethyl ester, N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid, ethyl 3-[(5,5-dimethyl-2-oxooxolan-3-yl)carbamoyl]propanoate
| Molecular Formula | C12H19NO5 |
|---|---|
| Molecular Weight | 257.13 g/mol |
| LogP | 0.54 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.1263 |
| Heavy Atoms | 18 |
| Complexity | 350.37692 |
Chemical Identifiers
| CAS Number | 77694-22-5 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1CC(OC1=O)(C)C |
Product Overview
N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid (CAS 77694-22-5), with molecular formula C12H19NO5 and molecular weight 257.13 g/mol. IUPAC: ethyl 4-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-4-oxobutanoate.
Chemical Property Profile of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid
Property Insights of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid
The XLogP value of 0.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid. Following Lipinski's Rule of Five, N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid 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 N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid?
The CAS number of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid is 77694-22-5.
What is the molecular formula of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid?
The molecular formula of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid is C12H19NO5.
What is the molecular weight of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid?
The molecular weight of N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid is 257.13 g/mol.
Where can I buy N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid?
You can request a quote for N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(5,5-Dimethyl-2-oxooxolan-3-yl)-4-ethoxy-4-oxobutanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.