Zelavespib
TL;DR: Zelavespib (CAS 1202865-65-3) is a chemical compound with molecular formula C18H21IN6O2S and molecular weight 512.04913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
Also Known As: PU-H71, Zelavespib, 2fwz, PU-H 71, PU H71
Technical Specifications
| Molecular Formula | C18H21IN6O2S |
| Molecular Weight | 512.04913 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.04913 Da |
| Heavy Atoms | 28 |
| Complexity | 520.0 |
| SMILES | CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N |
| InChIKey | SUPVGFZUWFMATN-UHFFFAOYSA-N |
Chemical Property Profile of Zelavespib
Property Insights of Zelavespib
The XLogP value of 3.2 indicates that Zelavespib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Zelavespib. Following Lipinski's Rule of Five, Zelavespib has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Zelavespib?
The CAS number of Zelavespib is 1202865-65-3.
What is the molecular formula of Zelavespib?
The molecular formula of Zelavespib is C18H21IN6O2S.
What is the molecular weight of Zelavespib?
The molecular weight of Zelavespib is 512.04913 g/mol.
Where can I buy Zelavespib?
You can request a quote for Zelavespib directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Zelavespib?
Yes, CoreyChem provides custom synthesis services for Zelavespib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.