N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide
TL;DR: N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide (CAS 5548-08-3) is a chemical compound with molecular formula C18H15N3O7S and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-3,5-dinitrobenzamide
Also Known As: BAS 00533548, N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide, N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-3,5-dinitrobenzamide, (3,5-dinitrophenyl)-N-(1,1-dioxo(3-2,3-dihydrothienyl))-N-(4-methylphenyl)carb oxamide, N-(1,1-dioxido-2,3-dihydro-3-thienyl)-3,5-bisnitro-N-(4-methylphenyl)benzamide
| Molecular Formula | C18H15N3O7S |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 2.76892 |
| Topological Polar Surface Area | 140.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.06308 |
| Heavy Atoms | 29 |
| Complexity | 1108.2948 |
Chemical Identifiers
| CAS Number | 5548-08-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide (CAS 5548-08-3), with molecular formula C18H15N3O7S and molecular weight 417.06 g/mol. IUPAC: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-3,5-dinitrobenzamide.
Chemical Property Profile of N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide
Property Insights of N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide
The XLogP value of 2.76892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide. The TPSA of 140.73 Ų indicates high polarity, suggesting N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide 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 N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide?
The CAS number of N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide is 5548-08-3.
What is the molecular formula of N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide?
The molecular formula of N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide is C18H15N3O7S.
What is the molecular weight of N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide?
The molecular weight of N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide is 417.06 g/mol.
Where can I buy N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide?
You can request a quote for N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxido-2,3-dihydro-3-thienyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.