N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine
TL;DR: N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine (CAS 107553-03-7) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine
Also Known As: N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine, 4-nitro-3-[phenylbenzylamino]-4,5-dihydrothiophene-1,1-dione
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.6083 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 863.9783 |
Chemical Identifiers
| CAS Number | 107553-03-7 |
|---|---|
| SMILES | C1C(C(=CS1(=O)=O)N(CC2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine (CAS 107553-03-7), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine.
Chemical Property Profile of N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine
Property Insights of N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine
The XLogP value of 2.6083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine. Following Lipinski's Rule of Five, N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine 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 N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine?
The CAS number of N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine is 107553-03-7.
What is the molecular formula of N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine?
The molecular formula of N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine is C17H16N2O4S.
What is the molecular weight of N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine?
The molecular weight of N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine is 344.08 g/mol.
Where can I buy N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine?
You can request a quote for N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-nitro-1,1-dioxo-N-phenyl-2,3-dihydrothiophen-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.