2-(4-Nitrophenylamino)ethyl methanesulfonate
TL;DR: 2-(4-Nitrophenylamino)ethyl methanesulfonate (CAS 100418-51-7) is a chemical compound with molecular formula C9H12N2O5S and molecular weight 260.0467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-nitroanilino)ethyl methanesulfonate
Also Known As: 2-(4-Nitrophenylamino)ethyl methanesulfonate, 2-(4-nitroanilino)ethyl methanesulfonate, N-(2-mesyloxyethyl)-4-nitroaniline, 2-[(4-nitrophenyl)amino]ethyl methanesulfonate, 2-(4-Nitrophenylamino)ethylmethanesulfonate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12N2O5S |
| Molecular Weight | 260.0467 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.0467 Da |
| Heavy Atoms | 17 |
| Complexity | 337.0 |
| SMILES | CS(=O)(=O)OCCNC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | YKTPZHLIRGSOOQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Nitrophenylamino)ethyl methanesulfonate
Property Insights of 2-(4-Nitrophenylamino)ethyl methanesulfonate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenylamino)ethyl methanesulfonate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenylamino)ethyl methanesulfonate. Following Lipinski's Rule of Five, 2-(4-Nitrophenylamino)ethyl methanesulfonate has 1 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 2-(4-Nitrophenylamino)ethyl methanesulfonate?
The CAS number of 2-(4-Nitrophenylamino)ethyl methanesulfonate is 100418-51-7.
What is the molecular formula of 2-(4-Nitrophenylamino)ethyl methanesulfonate?
The molecular formula of 2-(4-Nitrophenylamino)ethyl methanesulfonate is C9H12N2O5S.
What is the molecular weight of 2-(4-Nitrophenylamino)ethyl methanesulfonate?
The molecular weight of 2-(4-Nitrophenylamino)ethyl methanesulfonate is 260.0467 g/mol.
Where can I buy 2-(4-Nitrophenylamino)ethyl methanesulfonate?
You can request a quote for 2-(4-Nitrophenylamino)ethyl methanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Nitrophenylamino)ethyl methanesulfonate?
Yes, CoreyChem provides custom synthesis services for 2-(4-Nitrophenylamino)ethyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.