GW8510
TL;DR: GW8510 (CAS 222036-17-1) is a chemical compound with molecular formula C21H15N5O3S2 and molecular weight 449.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
GW8510
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
| Molecular Formula | C21H15N5O3S2 |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.06165 |
| Heavy Atoms | 31 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 222036-17-1 |
|---|---|
| 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 |
Product Overview
GW8510 (CAS 222036-17-1), with molecular formula C21H15N5O3S2 and molecular weight 449.06 g/mol. IUPAC: 4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.
Chemical Property Profile of GW8510
Property Insights of GW8510
The XLogP value of 3.6 indicates that 化合物4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.0 Ų indicates high polarity, suggesting GW8510 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 化合物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
Frequently Asked Questions
What is the CAS number of 化合物4?
The CAS number of 化合物4 is 222036-17-1.
What is the molecular formula of 化合物4?
The molecular formula of 化合物4 is C21H15N5O3S2.
What is the molecular weight of 化合物4?
The molecular weight of 化合物4 is 449.06 g/mol.
Where can I buy 化合物4?
You can request a quote for 化合物4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 化合物4?
Yes, KEHONG BIO provides custom synthesis services for 化合物4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.