2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate
TL;DR: 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate (CAS 957482-43-8) is a chemical compound with molecular formula C19H21NO7S2 and molecular weight 439.08 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-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate
Also Known As: VU0509279-1, F3103-0075, (5-methyl-2-propan-2-ylphenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate, 2-isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate, 5-methyl-2-(propan-2-yl)phenyl 2-(4-methanesulfonyl-2-nitrobenzenesulfinyl)acetate
| Molecular Formula | C19H21NO7S2 |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 3.14332 |
| Topological Polar Surface Area | 120.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.07596 |
| Heavy Atoms | 29 |
| Complexity | 1091.7317 |
Chemical Identifiers
| CAS Number | 957482-43-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(=O)CS(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate (CAS 957482-43-8), with molecular formula C19H21NO7S2 and molecular weight 439.08 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate.
Chemical Property Profile of 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate
Property Insights of 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate
The XLogP value of 3.14332 indicates that 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate. Following Lipinski's Rule of Five, 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate 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-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate?
The CAS number of 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate is 957482-43-8.
What is the molecular formula of 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate?
The molecular formula of 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate is C19H21NO7S2.
What is the molecular weight of 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate?
The molecular weight of 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate is 439.08 g/mol.
Where can I buy 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate?
You can request a quote for 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-methylphenyl 2-((4-(methylsulfonyl)-2-nitrophenyl)sulfinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.