三硝基苯磺酸
TL;DR: 三硝基苯磺酸 (CAS 2508-19-2) is a chemical compound with molecular formula C6H3N3O9S and molecular weight 292.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三硝基苯磺酸
2,4,6-trinitrobenzenesulfonic acid
Also Known As: Picrylsulfonic Acid, Picryl sulfonic acid, Trinitrobenzenesulfonic acid, 2,4,6-TRINITROBENZENESULFONIC ACID, TNBS
| Molecular Formula | C6H3N3O9S |
|---|---|
| Molecular Weight | 292.96 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.959 |
| Heavy Atoms | 19 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 2508-19-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NHJVRSWLHSJWIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三硝基苯磺酸 (CAS 2508-19-2), with molecular formula C6H3N3O9S and molecular weight 292.96 g/mol. IUPAC: 2,4,6-trinitrobenzenesulfonic acid.
Chemical Property Profile of 三硝基苯磺酸
Property Insights of 三硝基苯磺酸
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三硝基苯磺酸. The TPSA of 200.0 Ų indicates high polarity, suggesting 三硝基苯磺酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 三硝基苯磺酸 has 1 hydrogen bond donor(s) and 9 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 三硝基苯磺酸?
The CAS number of 三硝基苯磺酸 is 2508-19-2.
What is the molecular formula of 三硝基苯磺酸?
The molecular formula of 三硝基苯磺酸 is C6H3N3O9S.
What is the molecular weight of 三硝基苯磺酸?
The molecular weight of 三硝基苯磺酸 is 292.96 g/mol.
Where can I buy 三硝基苯磺酸?
You can request a quote for 三硝基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三硝基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 三硝基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.