C20H22BrNO4S
TL;DR: C20H22BrNO4S (CAS 877779-02-7) is a chemical compound with molecular formula C20H22BrNO4S and molecular weight 451.05 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-(3-methylphenoxy)acetamide
Also Known As: AO-022/43360454, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(3-methylphenoxy)acetamide, N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(3-methylphenoxy)acetamide, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydro-3-thienyl)-2-(3-methylphenoxy)acetamide, N-(3-bromobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(m-tolyloxy)acetamide
| Molecular Formula | C20H22BrNO4S |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 3.35222 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.0453 |
| Heavy Atoms | 27 |
| Complexity | 929.08386 |
Chemical Identifiers
| CAS Number | 877779-02-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(=O)N(CC2=CC(=CC=C2)Br)C3CCS(=O)(=O)C3 |
Product Overview
C20H22BrNO4S (CAS 877779-02-7), with molecular formula C20H22BrNO4S and molecular weight 451.05 g/mol. IUPAC: N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(3-methylphenoxy)acetamide.
Chemical Property Profile of C20H22BrNO4S
Property Insights of C20H22BrNO4S
The XLogP value of 3.35222 indicates that C20H22BrNO4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H22BrNO4S. Following Lipinski's Rule of Five, C20H22BrNO4S has 0 hydrogen bond donor(s) and 4 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 C20H22BrNO4S?
The CAS number of C20H22BrNO4S is 877779-02-7.
What is the molecular formula of C20H22BrNO4S?
The molecular formula of C20H22BrNO4S is C20H22BrNO4S.
What is the molecular weight of C20H22BrNO4S?
The molecular weight of C20H22BrNO4S is 451.05 g/mol.
Where can I buy C20H22BrNO4S?
You can request a quote for C20H22BrNO4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22BrNO4S?
Yes, KEHONG BIO provides custom synthesis services for C20H22BrNO4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.