Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate
TL;DR: Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate (CAS 134390-15-1) is a chemical compound with molecular formula C11H9NO5S and molecular weight 267.02014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate
Also Known As: NCI60_007635, methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate, methyl 2-((2-nitrophenyl)sulfinyl)-2,3-butadienoate, methyl 2-[(2-nitrophenyl)sulfinyl]buta-2,3-dienoate, methyl 2-(2-nitrobenzenesulfinyl)buta-2,3-dienoate
Technical Specifications
| Molecular Formula | C11H9NO5S |
| Molecular Weight | 267.02014 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.02014 Da |
| Heavy Atoms | 18 |
| Complexity | 422.0 |
| SMILES | COC(=O)C(=C=C)S(=O)C1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | GEBFEMXUNDNPRU-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate
Property Insights of Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate. Following Lipinski's Rule of Five, Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate 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 Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate?
The CAS number of Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate is 134390-15-1.
What is the molecular formula of Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate?
The molecular formula of Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate is C11H9NO5S.
What is the molecular weight of Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate?
The molecular weight of Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate is 267.02014 g/mol.
Where can I buy Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate?
You can request a quote for Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.