9P-961
TL;DR: 9P-961 (CAS 478248-93-0) is a chemical compound with molecular formula C32H26ClFN2S and molecular weight 524.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-(4-chlorophenyl)-4-[4-(2-fluoro-4-propylphenyl)phenyl]pyrimidine
Also Known As: 9P-961, 2-(benzylsulfanyl)-5-(4-chlorophenyl)-4-(2'-fluoro-4'-propyl[1,1'-biphenyl]-4-yl)pyrimidine, 2-benzylsulfanyl-5-(4-chlorophenyl)-4-[4-(2-fluoro-4-propylphenyl)phenyl]pyrimidine, 2-(benzylsulfanyl)-5-(4-chlorophenyl)-4-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}pyrimidine, 2-benzylsulfanyl-5-(4-chlorophenyl)-4-[4-(2-fluoro-4-propyl-phenyl)phenyl]pyrimidine
| Molecular Formula | C32H26ClFN2S |
|---|---|
| Molecular Weight | 524.15 g/mol |
| LogP | 9.5149 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.1489 |
| Heavy Atoms | 37 |
| Complexity | 1486.5472 |
Chemical Identifiers
| CAS Number | 478248-93-0 |
|---|---|
| SMILES | CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC=C3C4=CC=C(C=C4)Cl)SCC5=CC=CC=C5)F |
Product Overview
9P-961 (CAS 478248-93-0), with molecular formula C32H26ClFN2S and molecular weight 524.15 g/mol. IUPAC: 2-benzylsulfanyl-5-(4-chlorophenyl)-4-[4-(2-fluoro-4-propylphenyl)phenyl]pyrimidine.
Chemical Property Profile of 9P-961
Property Insights of 9P-961
The XLogP value of 9.5149 indicates that 9P-961 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 9P-961 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9P-961 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9P-961?
The CAS number of 9P-961 is 478248-93-0.
What is the molecular formula of 9P-961?
The molecular formula of 9P-961 is C32H26ClFN2S.
What is the molecular weight of 9P-961?
The molecular weight of 9P-961 is 524.15 g/mol.
Where can I buy 9P-961?
You can request a quote for 9P-961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9P-961?
Yes, KEHONG BIO provides custom synthesis services for 9P-961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.