(3-Methyloxiran-2-yl)methyl 4-nitrobenzoate
TL;DR: (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate (CAS 141782-32-3) is a chemical compound with molecular formula C11H11NO5 and molecular weight 237.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methyloxiran-2-yl)methyl 4-nitrobenzoate
Also Known As: (3-methyloxiran-2-yl)methyl 4-nitrobenzoate, 3-Methyloxiranemethanol 4-nitrobenzoate (2R-trans)-, Benzamide,3,4,5-trimethoxy-N-piperidinyl, (2R,3R)-(+)-(2,3-Epoxybutylester)-4-nitrobenzoate, (2S,3S)-trans-3-Methyloxirane-2-methyl 4-nitrobenzoate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11NO5 |
| Molecular Weight | 237.06372 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.06372 Da |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
| SMILES | CC1C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | BPOPJHHLTDEVBN-UHFFFAOYSA-N |
Chemical Property Profile of (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate
Property Insights of (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate. Following Lipinski's Rule of Five, (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate?
The CAS number of (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate is 141782-32-3.
What is the molecular formula of (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate?
The molecular formula of (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate is C11H11NO5.
What is the molecular weight of (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate?
The molecular weight of (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate is 237.06372 g/mol.
Where can I buy (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate?
You can request a quote for (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for (3-Methyloxiran-2-yl)methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.