Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate
TL;DR: Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate (CAS 134390-16-2) is a chemical compound with molecular formula C11H8N2O7S and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate
Also Known As: NCI60_007636, methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate, methyl 2-((2,4-dinitrophenyl)sulfinyl)-2,3-butadienoate, methyl 2-[(2,4-dinitrophenyl)sulfinyl]buta-2,3-dienoate, Methyl 2-((2,4-bis(hydroxy(oxido)amino)phenyl)sulfinyl)-2,3-butadienoate
| Molecular Formula | C11H8N2O7S |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.00522 |
| Heavy Atoms | 21 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 134390-16-2 |
|---|---|
| SMILES | COC(=O)C(=C=C)S(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DCOLBCFJIUBFBA-UHFFFAOYSA-N |
Product Overview
Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate (CAS 134390-16-2), with molecular formula C11H8N2O7S and molecular weight 312.01 g/mol. IUPAC: methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate.
Chemical Property Profile of Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate
Property Insights of Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate. The TPSA of 154.0 Ų indicates high polarity, suggesting Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate 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
Frequently Asked Questions
What is the CAS number of Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate?
The CAS number of Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate is 134390-16-2.
What is the molecular formula of Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate?
The molecular formula of Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate is C11H8N2O7S.
What is the molecular weight of Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate?
The molecular weight of Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate is 312.01 g/mol.
Where can I buy Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate?
You can request a quote for Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.