4-甲基苯基 3-硝基苯磺酸酯
TL;DR: 4-甲基苯基 3-硝基苯磺酸酯 (CAS 5354-03-0) is a chemical compound with molecular formula C13H11NO5S and molecular weight 293.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基苯基 3-硝基苯磺酸酯
(4-methylphenyl) 3-nitrobenzenesulfonate
Also Known As: (4-methylphenyl) 3-nitrobenzenesulfonate, p-methylphenyl 3-nitrobenzenesulfonate, 4-Methylphenyl 3-nitrobenzene-1-sulfonate, 4-methylphenyl 3-nitrobenzenesulfonate
| Molecular Formula | C13H11NO5S |
|---|---|
| Molecular Weight | 293.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.0358 |
| Heavy Atoms | 20 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 5354-03-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | DRYHZJMDXFTOHB-UHFFFAOYSA-N |
Product Overview
4-甲基苯基 3-硝基苯磺酸酯 (CAS 5354-03-0), with molecular formula C13H11NO5S and molecular weight 293.04 g/mol. IUPAC: (4-methylphenyl) 3-nitrobenzenesulfonate.
Chemical Property Profile of 4-甲基苯基 3-硝基苯磺酸酯
Property Insights of 4-甲基苯基 3-硝基苯磺酸酯
The XLogP value of 3.3 indicates that 4-甲基苯基 3-硝基苯磺酸酯 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 4-甲基苯基 3-硝基苯磺酸酯. Following Lipinski's Rule of Five, 4-甲基苯基 3-硝基苯磺酸酯 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 4-甲基苯基 3-硝基苯磺酸酯?
The CAS number of 4-甲基苯基 3-硝基苯磺酸酯 is 5354-03-0.
What is the molecular formula of 4-甲基苯基 3-硝基苯磺酸酯?
The molecular formula of 4-甲基苯基 3-硝基苯磺酸酯 is C13H11NO5S.
What is the molecular weight of 4-甲基苯基 3-硝基苯磺酸酯?
The molecular weight of 4-甲基苯基 3-硝基苯磺酸酯 is 293.04 g/mol.
Where can I buy 4-甲基苯基 3-硝基苯磺酸酯?
You can request a quote for 4-甲基苯基 3-硝基苯磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基苯基 3-硝基苯磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基苯基 3-硝基苯磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.