WR 159412
TL;DR: WR 159412 (CAS 51123-99-0) is a chemical compound with molecular formula C15H11F3N4S and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine
Also Known As: 2,4-Diamino-6-(5-trifluoromethylphenyl)thioquinazoline, 6-((3-(trifluoromethyl)phenyl)thio)quinazoline-2,4-diamine, NCI60_002591, 6-[3-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine, 2, 6-[[3-(trifluoromethyl)phenyl]thio]-
| Molecular Formula | C15H11F3N4S |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.06564 |
| Heavy Atoms | 23 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 51123-99-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC2=CC3=C(C=C2)N=C(N=C3N)N)C(F)(F)F |
| InChIKey | BFQQHTILCQZRGX-UHFFFAOYSA-N |
Product Overview
WR 159412 (CAS 51123-99-0), with molecular formula C15H11F3N4S and molecular weight 336.07 g/mol. IUPAC: 6-[3-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine.
Chemical Property Profile of WR 159412
Property Insights of WR 159412
The XLogP value of 3.8 indicates that WR 159412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for WR 159412. Following Lipinski's Rule of Five, WR 159412 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 WR 159412?
The CAS number of WR 159412 is 51123-99-0.
What is the molecular formula of WR 159412?
The molecular formula of WR 159412 is C15H11F3N4S.
What is the molecular weight of WR 159412?
The molecular weight of WR 159412 is 336.07 g/mol.
Where can I buy WR 159412?
You can request a quote for WR 159412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WR 159412?
Yes, KEHONG BIO provides custom synthesis services for WR 159412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.