(E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide
TL;DR: (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide (CAS 53541-21-2) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[(E)-(4-methyl-3-nitro-1,1-dioxo-2H-thiophen-5-ylidene)methyl]aniline
Also Known As: (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide, N,N-dimethyl-4-[(E)-(4-methyl-3-nitro-1,1-dioxo-2H-thiophen-5-ylidene)methyl]aniline
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 2.0726 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 743.6836 |
Chemical Identifiers
| CAS Number | 53541-21-2 |
|---|---|
| SMILES | CC\1=C(CS(=O)(=O)/C1=C/C2=CC=C(C=C2)N(C)C)[N+](=O)[O-] |
Product Overview
(E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide (CAS 53541-21-2), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: N,N-dimethyl-4-[(E)-(4-methyl-3-nitro-1,1-dioxo-2H-thiophen-5-ylidene)methyl]aniline.
Chemical Property Profile of (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide
Property Insights of (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide
The XLogP value of 2.0726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide. Following Lipinski's Rule of Five, (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide has 0 hydrogen bond donor(s) and 5 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 (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide?
The CAS number of (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide is 53541-21-2.
What is the molecular formula of (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide?
The molecular formula of (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide is C14H16N2O4S.
What is the molecular weight of (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide?
The molecular weight of (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide is 308.08 g/mol.
Where can I buy (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide?
You can request a quote for (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-(dimethylamino)benzylidene)-3-methyl-4-nitro-2,5-dihydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.