Pilaralisib analogue
TL;DR: Pilaralisib analogue (CAS 1033110-57-4) is a chemical compound with molecular formula C21H16N6O2S2 and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
Also Known As: Pilaralisib analogue, Pilaralisib, PI3K inhibitor X, Exelixis pI3K inhibitor, XL 147
| Molecular Formula | C21H16N6O2S2 |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 4.48732 |
| Topological Polar Surface Area | 109.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.0776 |
| Heavy Atoms | 31 |
| Complexity | 1514.5464 |
Chemical Identifiers
| CAS Number | 1033110-57-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4 |
Product Overview
Pilaralisib analogue (CAS 1033110-57-4), with molecular formula C21H16N6O2S2 and molecular weight 448.08 g/mol. IUPAC: N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide.
Chemical Property Profile of Pilaralisib analogue
Property Insights of Pilaralisib analogue
The XLogP value of 4.48732 indicates that Pilaralisib analogue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Pilaralisib analogue. Following Lipinski's Rule of Five, Pilaralisib analogue has 2 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 Pilaralisib analogue?
The CAS number of Pilaralisib analogue is 1033110-57-4.
What is the molecular formula of Pilaralisib analogue?
The molecular formula of Pilaralisib analogue is C21H16N6O2S2.
What is the molecular weight of Pilaralisib analogue?
The molecular weight of Pilaralisib analogue is 448.08 g/mol.
Where can I buy Pilaralisib analogue?
You can request a quote for Pilaralisib analogue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pilaralisib analogue?
Yes, KEHONG BIO provides custom synthesis services for Pilaralisib analogue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.