2-Amino-2-oxoethyl 4-nitrobenzoate
TL;DR: 2-Amino-2-oxoethyl 4-nitrobenzoate (CAS 64649-40-7) is a chemical compound with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-oxoethyl) 4-nitrobenzoate
Also Known As: 2-(4-Nitrobenzoyloxy)acetamid, 2-Amino-2-oxoethyl 4-nitrobenzoate, (2-amino-2-oxoethyl) 4-nitrobenzoate, 2-(4-Bitrobenzoyloxy)acetamide 4-Nitro-benzoic acid carbamoylmethyl ester
| Molecular Formula | C9H8N2O5 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 0.2369 |
| Topological Polar Surface Area | 112.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.04332 |
| Heavy Atoms | 16 |
| Complexity | 426.03043 |
Chemical Identifiers
| CAS Number | 64649-40-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC(=O)N)[N+](=O)[O-] |
Product Overview
2-Amino-2-oxoethyl 4-nitrobenzoate (CAS 64649-40-7), with molecular formula C9H8N2O5 and molecular weight 224.04 g/mol. IUPAC: (2-amino-2-oxoethyl) 4-nitrobenzoate.
Chemical Property Profile of 2-Amino-2-oxoethyl 4-nitrobenzoate
Property Insights of 2-Amino-2-oxoethyl 4-nitrobenzoate
The XLogP value of 0.2369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-2-oxoethyl 4-nitrobenzoate. The TPSA of 112.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-2-oxoethyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-Amino-2-oxoethyl 4-nitrobenzoate 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 2-Amino-2-oxoethyl 4-nitrobenzoate?
The CAS number of 2-Amino-2-oxoethyl 4-nitrobenzoate is 64649-40-7.
What is the molecular formula of 2-Amino-2-oxoethyl 4-nitrobenzoate?
The molecular formula of 2-Amino-2-oxoethyl 4-nitrobenzoate is C9H8N2O5.
What is the molecular weight of 2-Amino-2-oxoethyl 4-nitrobenzoate?
The molecular weight of 2-Amino-2-oxoethyl 4-nitrobenzoate is 224.04 g/mol.
Where can I buy 2-Amino-2-oxoethyl 4-nitrobenzoate?
You can request a quote for 2-Amino-2-oxoethyl 4-nitrobenzoate 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 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-2-oxoethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.