(5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate
TL;DR: (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate (CAS 7061-57-6) is a chemical compound with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylphenyl) 2-(2,4-dinitrophenyl)sulfinylacetate
Also Known As: (5-methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate, (5-methyl-2-propan-2-ylphenyl) 2-(2,4-dinitrophenyl)sulfinylacetate, (2-isopropyl-5-methyl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate, 2-isopropyl-5-methylphenyl 2-(2,4-dinitrobenzenesulfinyl)acetate, 5-Methyl-2-(propan-2-yl)phenyl (2,4-dinitrobenzene-1-sulfinyl)acetate
| Molecular Formula | C18H18N2O7S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 3.64802 |
| Topological Polar Surface Area | 129.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.08347 |
| Heavy Atoms | 28 |
| Complexity | 972.4016 |
Chemical Identifiers
| CAS Number | 7061-57-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(=O)CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate (CAS 7061-57-6), with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) 2-(2,4-dinitrophenyl)sulfinylacetate.
Chemical Property Profile of (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate
Property Insights of (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate
The XLogP value of 3.64802 indicates that (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate. Following Lipinski's Rule of Five, (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate 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 (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate?
The CAS number of (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate is 7061-57-6.
What is the molecular formula of (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate?
The molecular formula of (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate is C18H18N2O7S.
What is the molecular weight of (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate?
The molecular weight of (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate is 406.08 g/mol.
Where can I buy (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate?
You can request a quote for (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate?
Yes, KEHONG BIO provides custom synthesis services for (5-Methyl-2-propan-2-yl-phenyl) 2-(2,4-dinitrophenyl)sulfinylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.