![N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide structure](/static/products/620/620561-39-9.png)
N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide
TL;DR: N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide (CAS 620561-39-9) is a chemical compound with molecular formula C21H25N3O6S and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide
Also Known As: N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide, N-(4-(dimethylamino)benzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide, N-[4-(dimethylamino)benzyl]-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide, N-{[4-(DIMETHYLAMINO)PHENYL]METHYL}-N-(11-DIOXO-1LAMBDA6-THIOLAN-3-YL)-2-(4-NITROPHENOXY)ACETAMIDE
| Molecular Formula | C21H25N3O6S |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 2.2555 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.1464 |
| Heavy Atoms | 31 |
| Complexity | 1035.7897 |
Chemical Identifiers
| CAS Number | 620561-39-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide (CAS 620561-39-9), with molecular formula C21H25N3O6S and molecular weight 447.15 g/mol. IUPAC: N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide.
Chemical Property Profile of N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide
Property Insights of N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide
The XLogP value of 2.2555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide. Following Lipinski's Rule of Five, N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide 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-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide?
The CAS number of N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide is 620561-39-9.
What is the molecular formula of N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide?
The molecular formula of N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide is C21H25N3O6S.
What is the molecular weight of N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide?
The molecular weight of N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide is 447.15 g/mol.
Where can I buy N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide?
You can request a quote for N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-dimethylaminophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.