Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-
TL;DR: Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)- (CAS 106268-97-7) 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.
[(2S,3S)-3-methyloxiran-2-yl]methyl 4-nitrobenzoate
Also Known As: Cyclohexano-15-crown-5, [(2S,3S)-3-methyloxiran-2-yl]methyl 4-nitrobenzoate, (2S,3S)-trans-3-Methyloxirane-2-methyl 4-nitrobenzoate, Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-, 3-Methyloxiranemethanol 4-nitrobenzoate (2S-trans)-
Application Areas
Top 5 of 2 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 | C[C@H]1[C@@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | BPOPJHHLTDEVBN-XVKPBYJWSA-N |
Chemical Property Profile of Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-
Property Insights of Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-. Following Lipinski's Rule of Five, Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)- 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 Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-?
The CAS number of Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)- is 106268-97-7.
What is the molecular formula of Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-?
The molecular formula of Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)- is C11H11NO5.
What is the molecular weight of Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-?
The molecular weight of Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)- is 237.06372 g/mol.
Where can I buy Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-?
You can request a quote for Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-?
Yes, CoreyChem provides custom synthesis services for Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.