Naphthalen-2-yl 4-nitrobenzenesulfonate
TL;DR: Naphthalen-2-yl 4-nitrobenzenesulfonate (CAS 155626-16-7) is a chemical compound with molecular formula C16H11NO5S and molecular weight 329.0358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
naphthalen-2-yl 4-nitrobenzenesulfonate
Also Known As: naphthalen-2-yl 4-nitrobenzenesulfonate, naphthalen-2-yl 4-nitrobenzene-1-sulfonate, BAS 00064501, 4-Nitro-benzenesulfonic acid naphthalen-2-yl ester
Technical Specifications
| Molecular Formula | C16H11NO5S |
| Molecular Weight | 329.0358 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.0358 Da |
| Heavy Atoms | 23 |
| Complexity | 516.0 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | VMBNNBSNKNHLIT-UHFFFAOYSA-N |
Chemical Property Profile of Naphthalen-2-yl 4-nitrobenzenesulfonate
Property Insights of Naphthalen-2-yl 4-nitrobenzenesulfonate
The XLogP value of 4.1 indicates that Naphthalen-2-yl 4-nitrobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Naphthalen-2-yl 4-nitrobenzenesulfonate. Following Lipinski's Rule of Five, Naphthalen-2-yl 4-nitrobenzenesulfonate 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 Naphthalen-2-yl 4-nitrobenzenesulfonate?
The CAS number of Naphthalen-2-yl 4-nitrobenzenesulfonate is 155626-16-7.
What is the molecular formula of Naphthalen-2-yl 4-nitrobenzenesulfonate?
The molecular formula of Naphthalen-2-yl 4-nitrobenzenesulfonate is C16H11NO5S.
What is the molecular weight of Naphthalen-2-yl 4-nitrobenzenesulfonate?
The molecular weight of Naphthalen-2-yl 4-nitrobenzenesulfonate is 329.0358 g/mol.
Where can I buy Naphthalen-2-yl 4-nitrobenzenesulfonate?
You can request a quote for Naphthalen-2-yl 4-nitrobenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Naphthalen-2-yl 4-nitrobenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for Naphthalen-2-yl 4-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.