2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate
TL;DR: 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate (CAS 7497-15-6) is a chemical compound with molecular formula C14H12N2O7S and molecular weight 352.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4,6-dinitrophenyl) 2-methylbenzenesulfonate
Also Known As: (2-methyl-4,6-dinitrophenyl) 2-methylbenzenesulfonate, 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate
| Molecular Formula | C14H12N2O7S |
|---|---|
| Molecular Weight | 352.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.03653 |
| Heavy Atoms | 24 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 7497-15-6 |
|---|---|
| SMILES | CC1=CC=CC=C1S(=O)(=O)OC2=C(C=C(C=C2C)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QZSPYICVDILURK-UHFFFAOYSA-N |
Product Overview
2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate (CAS 7497-15-6), with molecular formula C14H12N2O7S and molecular weight 352.04 g/mol. IUPAC: (2-methyl-4,6-dinitrophenyl) 2-methylbenzenesulfonate.
Chemical Property Profile of 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate
Property Insights of 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate
The XLogP value of 3.4 indicates that 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate has 0 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-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate?
The CAS number of 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate is 7497-15-6.
What is the molecular formula of 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate?
The molecular formula of 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate is C14H12N2O7S.
What is the molecular weight of 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate?
The molecular weight of 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate is 352.04 g/mol.
Where can I buy 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate?
You can request a quote for 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4,6-dinitrophenyl 2-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.