XU9Y8LF5ZA
TL;DR: XU9Y8LF5ZA (CAS 296235-31-9) is a chemical compound with molecular formula C11H12AsN3O3S and molecular weight 340.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-methylsulfanylpyrimidin-4-yl)amino]phenyl]arsonic acid
Also Known As: WHI-P-380, Arsonic acid, (4-((2-(methylthio)-4-pyrimidinyl)amino)phenyl)-, [4-[(2-methylsulfanylpyrimidin-4-yl)amino]phenyl]arsonic Acid
| Molecular Formula | C11H12AsN3O3S |
|---|---|
| Molecular Weight | 340.98 g/mol |
| LogP | 0.5031 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.98154 |
| Heavy Atoms | 19 |
| Complexity | 614.8374 |
Chemical Identifiers
| CAS Number | 296235-31-9 |
|---|---|
| SMILES | CSC1=NC=CC(=N1)NC2=CC=C(C=C2)[As](=O)(O)O |
Product Overview
XU9Y8LF5ZA (CAS 296235-31-9), with molecular formula C11H12AsN3O3S and molecular weight 340.98 g/mol. IUPAC: [4-[(2-methylsulfanylpyrimidin-4-yl)amino]phenyl]arsonic acid.
Chemical Property Profile of XU9Y8LF5ZA
Property Insights of XU9Y8LF5ZA
The XLogP value of 0.5031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for XU9Y8LF5ZA. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for XU9Y8LF5ZA. Following Lipinski's Rule of Five, XU9Y8LF5ZA has 3 hydrogen bond donor(s) and 5 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 XU9Y8LF5ZA?
The CAS number of XU9Y8LF5ZA is 296235-31-9.
What is the molecular formula of XU9Y8LF5ZA?
The molecular formula of XU9Y8LF5ZA is C11H12AsN3O3S.
What is the molecular weight of XU9Y8LF5ZA?
The molecular weight of XU9Y8LF5ZA is 340.98 g/mol.
Where can I buy XU9Y8LF5ZA?
You can request a quote for XU9Y8LF5ZA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for XU9Y8LF5ZA?
Yes, KEHONG BIO provides custom synthesis services for XU9Y8LF5ZA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.