![N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide structure](/static/products/586/586995-72-4.png)
N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide
TL;DR: N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide (CAS 586995-72-4) is a chemical compound with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-4-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
Also Known As: N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-isopropylbenzyl)-4-nitrobenzamide, N-(1,1-dioxothiolan-3-yl)-4-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide
| Molecular Formula | C21H24N2O5S |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 3.5477 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1406 |
| Heavy Atoms | 29 |
| Complexity | 998.3719 |
Chemical Identifiers
| CAS Number | 586995-72-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide (CAS 586995-72-4), with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-4-nitro-N-[(4-propan-2-ylphenyl)methyl]benzamide.
Chemical Property Profile of N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide
Property Insights of N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide
The XLogP value of 3.5477 indicates that N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide. Following Lipinski's Rule of Five, N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide 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-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide?
The CAS number of N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide is 586995-72-4.
What is the molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide?
The molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide is C21H24N2O5S.
What is the molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide?
The molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide is 416.14 g/mol.
Where can I buy N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide?
You can request a quote for N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide 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-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-nitro-N-[4-(propan-2-yl)benzyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.