IFLab1_006535
TL;DR: IFLab1_006535 (CAS 587004-74-8) is a chemical compound with molecular formula C21H23Cl2NO4S and molecular weight 455.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-3-methylphenoxy)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)propanamide
Also Known As: IFLab1_006535, AS-871/42093731, N-(2-chlorobenzyl)-2-(4-chloro-3-methylphenoxy)-N-(1,1-dioxidotetrahydrothiophen-3-yl)propanamide, 2-(4-chloro-3-methylphenoxy)-N-(2-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)propanamide, 2-(4-chloro-3-methylphenoxy)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)propanamide
| Molecular Formula | C21H23Cl2NO4S |
|---|---|
| Molecular Weight | 455.07 g/mol |
| LogP | 4.28502 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.07248 |
| Heavy Atoms | 29 |
| Complexity | 1009.4907 |
Chemical Identifiers
| CAS Number | 587004-74-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(C)C(=O)N(CC2=CC=CC=C2Cl)C3CCS(=O)(=O)C3)Cl |
Product Overview
IFLab1_006535 (CAS 587004-74-8), with molecular formula C21H23Cl2NO4S and molecular weight 455.07 g/mol. IUPAC: 2-(4-chloro-3-methylphenoxy)-N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)propanamide.
Chemical Property Profile of IFLab1_006535
Property Insights of IFLab1_006535
The XLogP value of 4.28502 indicates that IFLab1_006535 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 IFLab1_006535. Following Lipinski's Rule of Five, IFLab1_006535 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 IFLab1_006535?
The CAS number of IFLab1_006535 is 587004-74-8.
What is the molecular formula of IFLab1_006535?
The molecular formula of IFLab1_006535 is C21H23Cl2NO4S.
What is the molecular weight of IFLab1_006535?
The molecular weight of IFLab1_006535 is 455.07 g/mol.
Where can I buy IFLab1_006535?
You can request a quote for IFLab1_006535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006535?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.