GW-493838 X
TL;DR: GW-493838 X (CAS 253124-46-8) is a chemical compound with molecular formula C21H21ClFN7O4 and molecular weight 489.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-[6-(4-chloro-2-fluoroanilino)purin-9-yl]oxolane-3,4-diol
Also Known As: GW-493838 X, (2S,3S,4R,5R)-2-(5-tert-Butyl-1,3,4-oxadiazol-2-yl)-5-(6-(4-chloro-2-fluoro-anilino)purin-9-yl)tetrahydrofuran-3,4-diol, (2S,3S,4R,5R)-2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-[6-(4-chloro-2-fluoroanilino)purin-9-yl]oxolane-3,4-diol, (2R,3R,4S,5S)-2-(6-((4-CHLORO-2-FLUOROPHENYL)AMINO)-9H-PURIN-9-YL)-5-(5-(1,1-DIMETHYLETHYL)-1,3,4-OXADIAZOL-2-YL)TETRAHYDRO-3,4-FURANDIOL, 3,4-FURANDIOL, 2-(6-((4-CHLORO-2-FLUOROPHENYL)AMINO)-9H-PURIN-9-YL)-5-(5-(1,1-DIMETHYLETHYL)-1,3,4-OXADIAZOL-2-YL)TETRAHYDRO-, (2R,3R,4S,5S)-
| Molecular Formula | C21H21ClFN7O4 |
|---|---|
| Molecular Weight | 489.13 g/mol |
| LogP | 3.0348 |
| Topological Polar Surface Area | 144.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.13275 |
| Heavy Atoms | 34 |
| Complexity | 1354.644 |
Chemical Identifiers
| CAS Number | 253124-46-8 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(O1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)NC5=C(C=C(C=C5)Cl)F)O)O |
Product Overview
GW-493838 X (CAS 253124-46-8), with molecular formula C21H21ClFN7O4 and molecular weight 489.13 g/mol. IUPAC: (2S,3S,4R,5R)-2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-[6-(4-chloro-2-fluoroanilino)purin-9-yl]oxolane-3,4-diol.
Chemical Property Profile of GW-493838 X
Property Insights of GW-493838 X
The XLogP value of 3.0348 indicates that GW-493838 X is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.24 Ų indicates high polarity, suggesting GW-493838 X may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GW-493838 X has 3 hydrogen bond donor(s) and 10 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 GW-493838 X?
The CAS number of GW-493838 X is 253124-46-8.
What is the molecular formula of GW-493838 X?
The molecular formula of GW-493838 X is C21H21ClFN7O4.
What is the molecular weight of GW-493838 X?
The molecular weight of GW-493838 X is 489.13 g/mol.
Where can I buy GW-493838 X?
You can request a quote for GW-493838 X directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GW-493838 X?
Yes, KEHONG BIO provides custom synthesis services for GW-493838 X and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.