Einecs 258-506-4
TL;DR: Einecs 258-506-4 (CAS 53375-50-1) is a chemical compound with molecular formula C12H12N2O6 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-4-nitrophenyl) 5-oxopyrrolidine-2-carboxylate
Also Known As: 2-Methoxy-4-nitrophenyl 5-oxo-L-prolinate, 2-methoxy-4-nitrophenyl 5-oxoprolinate, (2-methoxy-4-nitrophenyl) 5-oxopyrrolidine-2-carboxylate, 5-Oxo-pyrrolidine-2-carboxylic acid 2-methoxy-4-nitro-phenyl ester, 2-Methoxy-4-nitrophenyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate
| Molecular Formula | C12H12N2O6 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.06955 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 53375-50-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])OC(=O)C2CCC(=O)N2 |
| InChIKey | ZKPBFAPKUAHRCU-UHFFFAOYSA-N |
Product Overview
Einecs 258-506-4 (CAS 53375-50-1), with molecular formula C12H12N2O6 and molecular weight 280.07 g/mol. IUPAC: (2-methoxy-4-nitrophenyl) 5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of Einecs 258-506-4
Property Insights of Einecs 258-506-4
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 258-506-4. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 258-506-4. Following Lipinski's Rule of Five, Einecs 258-506-4 has 1 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 Einecs 258-506-4?
The CAS number of Einecs 258-506-4 is 53375-50-1.
What is the molecular formula of Einecs 258-506-4?
The molecular formula of Einecs 258-506-4 is C12H12N2O6.
What is the molecular weight of Einecs 258-506-4?
The molecular weight of Einecs 258-506-4 is 280.07 g/mol.
Where can I buy Einecs 258-506-4?
You can request a quote for Einecs 258-506-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 258-506-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 258-506-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.