N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide
TL;DR: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide (CAS 850901-86-9) is a chemical compound with molecular formula C19H19BrN2O6S and molecular weight 482.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide
Also Known As: N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide, N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide
| Molecular Formula | C19H19BrN2O6S |
|---|---|
| Molecular Weight | 482.01 g/mol |
| LogP | 2.952 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.0147 |
| Heavy Atoms | 29 |
| Complexity | 1009.6144 |
Chemical Identifiers
| CAS Number | 850901-86-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC(=CC=C2)Br)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide (CAS 850901-86-9), with molecular formula C19H19BrN2O6S and molecular weight 482.01 g/mol. IUPAC: N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-nitrophenoxy)acetamide.
Chemical Property Profile of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide
Property Insights of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide
The XLogP value of 2.952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide. Following Lipinski's Rule of Five, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide has 0 hydrogen bond donor(s) and 6 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-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide?
The CAS number of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide is 850901-86-9.
What is the molecular formula of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide?
The molecular formula of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide is C19H19BrN2O6S.
What is the molecular weight of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide?
The molecular weight of N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide is 482.01 g/mol.
Where can I buy N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide?
You can request a quote for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-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-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-nitrophenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.