Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester
TL;DR: Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester (CAS 139326-46-8) is a chemical compound with molecular formula C9H8N2O7S and molecular weight 288.00522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(2,4-dinitrophenyl)sulfinylacetate
Also Known As: Methyl 2-(2,4-dinitrophenyl)sulfinylacetate, Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester, methyl 2-(2,4-dinitrobenzenesulfinyl)acetate, Methyl (2,4-dinitrobenzene-1-sulfinyl)acetate, 2,4-Dinitrophenylsulfinyl-acetic acid, methyl es
Technical Specifications
| Molecular Formula | C9H8N2O7S |
| Molecular Weight | 288.00522 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.00522 Da |
| Heavy Atoms | 19 |
| Complexity | 402.0 |
| SMILES | COC(=O)CS(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YRLSZEJIWOESRX-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester
Property Insights of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester. The TPSA of 154.0 Ų indicates high polarity, suggesting Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester?
The CAS number of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester is 139326-46-8.
What is the molecular formula of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester?
The molecular formula of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester is C9H8N2O7S.
What is the molecular weight of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester?
The molecular weight of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester is 288.00522 g/mol.
Where can I buy Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester?
You can request a quote for Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.