Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester
TL;DR: Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester (CAS 139326-47-9) is a chemical compound with molecular formula C11H12N2O7S and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(2,4-dinitrophenyl)sulfinylacetate
Also Known As: Propan-2-yl 2-(2,4-dinitrophenyl)sulfinylacetate, 2,4-Dinitrophenylsulfinyl-acetic acid, isopropyl, Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester, Propan-2-yl (2,4-dinitrobenzene-1-sulfinyl)acetate, propan-2-yl 2-(2,4-dinitrobenzenesulfinyl)acetate
| Molecular Formula | C11H12N2O7S |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 1.5622 |
| Topological Polar Surface Area | 129.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.03653 |
| Heavy Atoms | 21 |
| Complexity | 614.58936 |
Chemical Identifiers
| CAS Number | 139326-47-9 |
|---|---|
| SMILES | CC(C)OC(=O)CS(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester (CAS 139326-47-9), with molecular formula C11H12N2O7S and molecular weight 316.04 g/mol. IUPAC: propan-2-yl 2-(2,4-dinitrophenyl)sulfinylacetate.
Chemical Property Profile of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester
Property Insights of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester
The XLogP value of 1.5622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester. The TPSA of 129.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester 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 Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester?
The CAS number of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester is 139326-47-9.
What is the molecular formula of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester?
The molecular formula of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester is C11H12N2O7S.
What is the molecular weight of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester?
The molecular weight of Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester is 316.04 g/mol.
Where can I buy Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester?
You can request a quote for Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((2,4-dinitrophenyl)sulfinyl)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.