Oxalic acid, monoamide, n-butyl-, ethyl ester
TL;DR: Oxalic acid, monoamide, n-butyl-, ethyl ester (CAS 5391-49-1) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(butylamino)-2-oxoacetate
Also Known As: ethyl 2-(butylamino)-2-oxoacetate, N-Butyloxamidic acid ethyl ester, ETHYL (BUTYLCARBAMOYL)FORMATE, Oxalic acid, monoamide, n-butyl-, ethyl ester, J1.786.655I
| Molecular Formula | C8H15NO3 |
|---|---|
| Molecular Weight | 173.11 g/mol |
| LogP | 0.4658 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.1052 |
| Heavy Atoms | 12 |
| Complexity | 156.38196 |
Chemical Identifiers
| CAS Number | 5391-49-1 |
|---|---|
| SMILES | CCCCNC(=O)C(=O)OCC |
Product Overview
Oxalic acid, monoamide, n-butyl-, ethyl ester (CAS 5391-49-1), with molecular formula C8H15NO3 and molecular weight 173.11 g/mol. IUPAC: ethyl 2-(butylamino)-2-oxoacetate.
Chemical Property Profile of Oxalic acid, monoamide, n-butyl-, ethyl ester
Property Insights of Oxalic acid, monoamide, n-butyl-, ethyl ester
The XLogP value of 0.4658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxalic acid, monoamide, n-butyl-, ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Oxalic acid, monoamide, n-butyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxalic acid, monoamide, n-butyl-, ethyl ester has 1 hydrogen bond donor(s) and 3 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 Oxalic acid, monoamide, n-butyl-, ethyl ester?
The CAS number of Oxalic acid, monoamide, n-butyl-, ethyl ester is 5391-49-1.
What is the molecular formula of Oxalic acid, monoamide, n-butyl-, ethyl ester?
The molecular formula of Oxalic acid, monoamide, n-butyl-, ethyl ester is C8H15NO3.
What is the molecular weight of Oxalic acid, monoamide, n-butyl-, ethyl ester?
The molecular weight of Oxalic acid, monoamide, n-butyl-, ethyl ester is 173.11 g/mol.
Where can I buy Oxalic acid, monoamide, n-butyl-, ethyl ester?
You can request a quote for Oxalic acid, monoamide, n-butyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxalic acid, monoamide, n-butyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Oxalic acid, monoamide, n-butyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.