![[(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate structure](/static/products/1417/141700-91-6.webp)
[(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate
TL;DR: [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate (CAS 141700-91-6) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,3-dimethyloxiran-2-yl)methyl 4-nitrobenzoate
Also Known As: (3,3-dimethyloxiran-2-yl)methyl 4-nitrobenzoate, 4-Nitrobenzoic acid 3,3-dimethylglycidyl ester, [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate, [(2R)-3,3-dimethyloxiran-2-yl]methyl 4-nitrobenzoate
Technical Specifications
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.07938 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.07938 Da |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
| SMILES | CC1(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | NNRORFCMFJMIKM-UHFFFAOYSA-N |
Chemical Property Profile of [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate
Property Insights of [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate. Following Lipinski's Rule of Five, [(2R)-3,3-dimethyl-2-oxiranyl]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 [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate?
The CAS number of [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate is 141700-91-6.
What is the molecular formula of [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate?
The molecular formula of [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate is C12H13NO5.
What is the molecular weight of [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate?
The molecular weight of [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate is 251.07938 g/mol.
Where can I buy [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate?
You can request a quote for [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for [(2R)-3,3-dimethyl-2-oxiranyl]methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.