9P-971
TL;DR: 9P-971 (CAS 478248-98-5) is a chemical compound with molecular formula C34H30ClFN2S and molecular weight 552.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]-4-[4-(2-fluoro-4-propylphenyl)phenyl]pyrimidine
Also Known As: 9P-971, 5-(4-chlorophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]-4-[4-(2-fluoro-4-propylphenyl)phenyl]pyrimidine, 5-(4-chlorophenyl)-2-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}pyrimidine, 5-(4-chlorophenyl)-2-[(3,5-dimethylbenzyl)sulfanyl]-4-(2'-fluoro-4'-propyl[1,1'-biphenyl]-4-yl)pyrimidine, 5-(4-Chlorophenyl)-2-[[(3,5-dimethylphenyl)methyl]thio]-4-(2a(2)-fluoro-4a(2)-propyl[1,1a(2)-biphenyl]-4-yl)pyrimidine
| Molecular Formula | C34H30ClFN2S |
|---|---|
| Molecular Weight | 552.18 g/mol |
| LogP | 10.13174 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 552.18024 |
| Heavy Atoms | 39 |
| Complexity | 1577.4565 |
Chemical Identifiers
| CAS Number | 478248-98-5 |
|---|---|
| SMILES | CCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC=C3C4=CC=C(C=C4)Cl)SCC5=CC(=CC(=C5)C)C)F |
Product Overview
9P-971 (CAS 478248-98-5), with molecular formula C34H30ClFN2S and molecular weight 552.18 g/mol. IUPAC: 5-(4-chlorophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]-4-[4-(2-fluoro-4-propylphenyl)phenyl]pyrimidine.
Chemical Property Profile of 9P-971
Property Insights of 9P-971
The XLogP value of 10.13174 indicates that 9P-971 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-971 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9P-971 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-971?
The CAS number of 9P-971 is 478248-98-5.
What is the molecular formula of 9P-971?
The molecular formula of 9P-971 is C34H30ClFN2S.
What is the molecular weight of 9P-971?
The molecular weight of 9P-971 is 552.18 g/mol.
Where can I buy 9P-971?
You can request a quote for 9P-971 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9P-971?
Yes, KEHONG BIO provides custom synthesis services for 9P-971 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.