2-Nitrophenyl methanesulfonate
TL;DR: 2-Nitrophenyl methanesulfonate (CAS 116902-15-9) is a chemical compound with molecular formula C7H7NO5S and molecular weight 217.00449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-nitrophenyl) methanesulfonate
Also Known As: 2-nitrophenyl methanesulfonate, nitrophenyl methylsulfonate, (2-nitrophenyl) methanesulfonate, methanesulfonic acid, 2-nitrophenyl ester, AN-652/41418535
Technical Specifications
| Molecular Formula | C7H7NO5S |
| Molecular Weight | 217.00449 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.00449 Da |
| Heavy Atoms | 14 |
| Complexity | 301.0 |
| SMILES | CS(=O)(=O)OC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | VLXIMKLSBONXJY-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitrophenyl methanesulfonate
Property Insights of 2-Nitrophenyl methanesulfonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenyl methanesulfonate. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenyl methanesulfonate. Following Lipinski's Rule of Five, 2-Nitrophenyl methanesulfonate 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 2-Nitrophenyl methanesulfonate?
The CAS number of 2-Nitrophenyl methanesulfonate is 116902-15-9.
What is the molecular formula of 2-Nitrophenyl methanesulfonate?
The molecular formula of 2-Nitrophenyl methanesulfonate is C7H7NO5S.
What is the molecular weight of 2-Nitrophenyl methanesulfonate?
The molecular weight of 2-Nitrophenyl methanesulfonate is 217.00449 g/mol.
Where can I buy 2-Nitrophenyl methanesulfonate?
You can request a quote for 2-Nitrophenyl methanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitrophenyl methanesulfonate?
Yes, CoreyChem provides custom synthesis services for 2-Nitrophenyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.