cmpd 4
TL;DR: cmpd 4 (CAS 222036-17-1) is a chemical compound with molecular formula C21H15N5O3S2 and molecular weight 449.06165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
Also Known As: cmpd 4, Oxindole (Scaffold V), GW8510, solid, pyridyl)benzenesulfonamide, Oxindole-Based Inhibitor 91
Technical Specifications
| Molecular Formula | C21H15N5O3S2 |
| Molecular Weight | 449.06165 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.06165 Da |
| Heavy Atoms | 31 |
| Complexity | 753.0 |
| SMILES | C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(NC4=C3C5=C(C=C4)N=CS5)O |
| InChIKey | CDNIYBIKHDLGMT-UHFFFAOYSA-N |
Chemical Property Profile of cmpd 4
Property Insights of cmpd 4
The XLogP value of 3.6 indicates that cmpd 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting cmpd 4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cmpd 4 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of cmpd 4?
The CAS number of cmpd 4 is 222036-17-1.
What is the molecular formula of cmpd 4?
The molecular formula of cmpd 4 is C21H15N5O3S2.
What is the molecular weight of cmpd 4?
The molecular weight of cmpd 4 is 449.06165 g/mol.
Where can I buy cmpd 4?
You can request a quote for cmpd 4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cmpd 4?
Yes, CoreyChem provides custom synthesis services for cmpd 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.