IFLab1_006459
TL;DR: IFLab1_006459 (CAS 577996-09-9) is a chemical compound with molecular formula C21H18ClNO5S and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-oxochromene-3-carboxamide
Also Known As: IFLab1_006459, N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-oxo-2H-chromene-3-carboxamide, AB01279228-01, F1673-3811, N-[(4-chlorophenyl)methyl]-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-oxo-2H-chromene-3-carboxamide
| Molecular Formula | C21H18ClNO5S |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 3.2759 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.05942 |
| Heavy Atoms | 29 |
| Complexity | 1233.9113 |
Chemical Identifiers
| CAS Number | 577996-09-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N(CC2=CC=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4OC3=O |
Product Overview
IFLab1_006459 (CAS 577996-09-9), with molecular formula C21H18ClNO5S and molecular weight 431.06 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-oxochromene-3-carboxamide.
Chemical Property Profile of IFLab1_006459
Property Insights of IFLab1_006459
The XLogP value of 3.2759 indicates that IFLab1_006459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_006459. Following Lipinski's Rule of Five, IFLab1_006459 has 0 hydrogen bond donor(s) and 5 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_006459?
The CAS number of IFLab1_006459 is 577996-09-9.
What is the molecular formula of IFLab1_006459?
The molecular formula of IFLab1_006459 is C21H18ClNO5S.
What is the molecular weight of IFLab1_006459?
The molecular weight of IFLab1_006459 is 431.06 g/mol.
Where can I buy IFLab1_006459?
You can request a quote for IFLab1_006459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_006459?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_006459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.