2-(2-Nitro-phenoxymethyl)-oxirane
TL;DR: 2-(2-Nitro-phenoxymethyl)-oxirane (CAS 54899-97-7) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-nitrophenoxy)methyl]oxirane
Also Known As: 2-[(2-nitrophenoxy)methyl]oxirane, 2-(2-NITRO-PHENOXYMETHYL)-OXIRANE, Nitrophenyl glycidyl ether, Oxirane,2-[(2-nitrophenoxy)methyl]-, 2-(2-nitrophenoxymethyl)oxirane
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 54899-97-7 |
|---|---|
| SMILES | C1C(O1)COC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | SMKKEOQDQNCTGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Nitro-phenoxymethyl)-oxirane (CAS 54899-97-7), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 2-[(2-nitrophenoxy)methyl]oxirane.
Chemical Property Profile of 2-(2-Nitro-phenoxymethyl)-oxirane
Property Insights of 2-(2-Nitro-phenoxymethyl)-oxirane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Nitro-phenoxymethyl)-oxirane. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitro-phenoxymethyl)-oxirane. Following Lipinski's Rule of Five, 2-(2-Nitro-phenoxymethyl)-oxirane has 0 hydrogen bond donor(s) and 4 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-(2-Nitro-phenoxymethyl)-oxirane?
The CAS number of 2-(2-Nitro-phenoxymethyl)-oxirane is 54899-97-7.
What is the molecular formula of 2-(2-Nitro-phenoxymethyl)-oxirane?
The molecular formula of 2-(2-Nitro-phenoxymethyl)-oxirane is C9H9NO4.
What is the molecular weight of 2-(2-Nitro-phenoxymethyl)-oxirane?
The molecular weight of 2-(2-Nitro-phenoxymethyl)-oxirane is 195.05 g/mol.
Where can I buy 2-(2-Nitro-phenoxymethyl)-oxirane?
You can request a quote for 2-(2-Nitro-phenoxymethyl)-oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Nitro-phenoxymethyl)-oxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitro-phenoxymethyl)-oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.