IFLab1_006342
TL;DR: IFLab1_006342 (CAS 620578-26-9) is a chemical compound with molecular formula C22H23NO4S and molecular weight 397.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide
Also Known As: IFLab1_006342, N-benzyl-N-(1,1-dioxidotetrahydro-3-thienyl)-3,5-dimethyl-1-benzofuran-2-carboxamide, AF-399/42217572, N-benzyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide, N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide
| Molecular Formula | C22H23NO4S |
|---|---|
| Molecular Weight | 397.13 g/mol |
| LogP | 3.87914 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.13477 |
| Heavy Atoms | 28 |
| Complexity | 1132.0581 |
Chemical Identifiers
| CAS Number | 620578-26-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=C2C)C(=O)N(CC3=CC=CC=C3)C4CCS(=O)(=O)C4 |
Product Overview
IFLab1_006342 (CAS 620578-26-9), with molecular formula C22H23NO4S and molecular weight 397.13 g/mol. IUPAC: N-benzyl-N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of IFLab1_006342
Property Insights of IFLab1_006342
The XLogP value of 3.87914 indicates that IFLab1_006342 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_006342. Following Lipinski's Rule of Five, IFLab1_006342 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_006342?
The CAS number of IFLab1_006342 is 620578-26-9.
What is the molecular formula of IFLab1_006342?
The molecular formula of IFLab1_006342 is C22H23NO4S.
What is the molecular weight of IFLab1_006342?
The molecular weight of IFLab1_006342 is 397.13 g/mol.
Where can I buy IFLab1_006342?
You can request a quote for IFLab1_006342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006342?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.