2,4,6-三甲基-3,5-二硝基苯磺酸
TL;DR: 2,4,6-三甲基-3,5-二硝基苯磺酸 (CAS 33144-12-6) is a chemical compound with molecular formula C9H10N2O7S and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-三甲基-3,5-二硝基苯磺酸
2,4,6-trimethyl-3,5-dinitrobenzenesulfonic acid
Also Known As: Dinitromesitylenesulfonic acid, 4,6-Dinitromesitylene-2-sulphonic acid, Benzenesulfonic acid, 2,4,6-trimethyl-3,5-dinitro-, 2,4,6-trimethyl-3,5-dinitrobenzenesulfonic acid, 4,6-Dinitromesitylene-2-sulfonic acid
| Molecular Formula | C9H10N2O7S |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.02087 |
| Heavy Atoms | 19 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 33144-12-6 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])C)S(=O)(=O)O)C)[N+](=O)[O-] |
| InChIKey | RGNRSPQQRBBORA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-三甲基-3,5-二硝基苯磺酸 (CAS 33144-12-6), with molecular formula C9H10N2O7S and molecular weight 290.02 g/mol. IUPAC: 2,4,6-trimethyl-3,5-dinitrobenzenesulfonic acid.
Chemical Property Profile of 2,4,6-三甲基-3,5-二硝基苯磺酸
Property Insights of 2,4,6-三甲基-3,5-二硝基苯磺酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-三甲基-3,5-二硝基苯磺酸. The TPSA of 154.0 Ų indicates high polarity, suggesting 2,4,6-三甲基-3,5-二硝基苯磺酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-三甲基-3,5-二硝基苯磺酸 has 1 hydrogen bond donor(s) and 7 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 2,4,6-三甲基-3,5-二硝基苯磺酸?
The CAS number of 2,4,6-三甲基-3,5-二硝基苯磺酸 is 33144-12-6.
What is the molecular formula of 2,4,6-三甲基-3,5-二硝基苯磺酸?
The molecular formula of 2,4,6-三甲基-3,5-二硝基苯磺酸 is C9H10N2O7S.
What is the molecular weight of 2,4,6-三甲基-3,5-二硝基苯磺酸?
The molecular weight of 2,4,6-三甲基-3,5-二硝基苯磺酸 is 290.02 g/mol.
Where can I buy 2,4,6-三甲基-3,5-二硝基苯磺酸?
You can request a quote for 2,4,6-三甲基-3,5-二硝基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-三甲基-3,5-二硝基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-三甲基-3,5-二硝基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.