Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester
TL;DR: Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester (CAS 139326-51-5) is a chemical compound with molecular formula C11H13NO6S and molecular weight 287.04636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-(2-nitrophenyl)sulfonylacetate
Also Known As: Propan-2-yl 2-(2-nitrophenyl)sulfonylacetate, Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester, propan-2-yl 2-(2-nitrobenzenesulfonyl)acetate, 2-Nitrophenylsulfonyl-acetic acid, isopropyl est, Propan-2-yl (2-nitrobenzene-1-sulfonyl)acetate
Technical Specifications
| Molecular Formula | C11H13NO6S |
| Molecular Weight | 287.04636 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.04636 Da |
| Heavy Atoms | 19 |
| Complexity | 433.0 |
| SMILES | CC(C)OC(=O)CS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | MZPGECUKILUQTA-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester
Property Insights of Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester has 0 hydrogen bond donor(s) and 6 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-nitrophenyl)sulfonyl)-, 1-methylethyl ester?
The CAS number of Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester is 139326-51-5.
What is the molecular formula of Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester?
The molecular formula of Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester is C11H13NO6S.
What is the molecular weight of Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester?
The molecular weight of Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester is 287.04636 g/mol.
Where can I buy Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester?
You can request a quote for Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((2-nitrophenyl)sulfonyl)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.