9P-966
TL;DR: 9P-966 (CAS 478248-96-3) is a chemical compound with molecular formula C32H25ClFN3O2S and molecular weight 569.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-4-[4-(2-fluoro-4-propylphenyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]pyrimidine
Also Known As: 9P-966, 5-(4-chlorophenyl)-4-(2'-fluoro-4'-propyl[1,1'-biphenyl]-4-yl)-2-[(4-nitrobenzyl)sulfanyl]pyrimidine, 5-(4-chlorophenyl)-4-[4-(2-fluoro-4-propylphenyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]pyrimidine, 5-(4-chlorophenyl)-4-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidine
| Molecular Formula | C32H25ClFN3O2S |
|---|---|
| Molecular Weight | 569.13 g/mol |
| LogP | 9.4231 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 569.13403 |
| Heavy Atoms | 40 |
| Complexity | 1643.5054 |
Chemical Identifiers
| CAS Number | 478248-96-3 |
|---|---|
| SMILES | CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC=C3C4=CC=C(C=C4)Cl)SCC5=CC=C(C=C5)[N+](=O)[O-])F |
Product Overview
9P-966 (CAS 478248-96-3), with molecular formula C32H25ClFN3O2S and molecular weight 569.13 g/mol. IUPAC: 5-(4-chlorophenyl)-4-[4-(2-fluoro-4-propylphenyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]pyrimidine.
Chemical Property Profile of 9P-966
Property Insights of 9P-966
The XLogP value of 9.4231 indicates that 9P-966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 9P-966. Following Lipinski's Rule of Five, 9P-966 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9P-966?
The CAS number of 9P-966 is 478248-96-3.
What is the molecular formula of 9P-966?
The molecular formula of 9P-966 is C32H25ClFN3O2S.
What is the molecular weight of 9P-966?
The molecular weight of 9P-966 is 569.13 g/mol.
Where can I buy 9P-966?
You can request a quote for 9P-966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9P-966?
Yes, KEHONG BIO provides custom synthesis services for 9P-966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.