Pentan-2-yl 4-nitrobenzene-1-sulfonate
TL;DR: Pentan-2-yl 4-nitrobenzene-1-sulfonate (CAS 92147-58-5) is a chemical compound with molecular formula C11H15NO5S and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-2-yl 4-nitrobenzenesulfonate
Also Known As: pentan-2-yl 4-nitrobenzenesulfonate, Pentan-2-yl 4-nitrobenzene-1-sulfonate
| Molecular Formula | C11H15NO5S |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.0671 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 92147-58-5 |
|---|---|
| SMILES | CCCC(C)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | GZZAGEXQGDOCOI-UHFFFAOYSA-N |
Product Overview
Pentan-2-yl 4-nitrobenzene-1-sulfonate (CAS 92147-58-5), with molecular formula C11H15NO5S and molecular weight 273.07 g/mol. IUPAC: pentan-2-yl 4-nitrobenzenesulfonate.
Chemical Property Profile of Pentan-2-yl 4-nitrobenzene-1-sulfonate
Property Insights of Pentan-2-yl 4-nitrobenzene-1-sulfonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentan-2-yl 4-nitrobenzene-1-sulfonate. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentan-2-yl 4-nitrobenzene-1-sulfonate. Following Lipinski's Rule of Five, Pentan-2-yl 4-nitrobenzene-1-sulfonate 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
Frequently Asked Questions
What is the CAS number of Pentan-2-yl 4-nitrobenzene-1-sulfonate?
The CAS number of Pentan-2-yl 4-nitrobenzene-1-sulfonate is 92147-58-5.
What is the molecular formula of Pentan-2-yl 4-nitrobenzene-1-sulfonate?
The molecular formula of Pentan-2-yl 4-nitrobenzene-1-sulfonate is C11H15NO5S.
What is the molecular weight of Pentan-2-yl 4-nitrobenzene-1-sulfonate?
The molecular weight of Pentan-2-yl 4-nitrobenzene-1-sulfonate is 273.07 g/mol.
Where can I buy Pentan-2-yl 4-nitrobenzene-1-sulfonate?
You can request a quote for Pentan-2-yl 4-nitrobenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentan-2-yl 4-nitrobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pentan-2-yl 4-nitrobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.