Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester
TL;DR: Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester (CAS 115314-17-5) is a chemical compound with molecular formula C9H9NO6S and molecular weight 259.01505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
Also Known As: (S)-(+)-Glycidyl nosylate, (S)-Glycidyl 3-nitrobenzenesulfonate, (S)-GLYCIDYL NOSYLATE, (S)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate, S-Glycidyl nosylate
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO6S |
| Molecular Weight | 259.01505 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.01505 Da |
| Heavy Atoms | 17 |
| Complexity | 383.0 |
| SMILES | C1[C@H](O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | AIHIHVZYAAMDPM-QMMMGPOBSA-N |
Chemical Property Profile of Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester
Property Insights of Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester?
The CAS number of Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester is 115314-17-5.
What is the molecular formula of Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester?
The molecular formula of Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester is C9H9NO6S.
What is the molecular weight of Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester?
The molecular weight of Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester is 259.01505 g/mol.
Where can I buy Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester?
You can request a quote for Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonic acid, 3-nitro-, (2S)-2-oxiranylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.