9N-675S
TL;DR: 9N-675S (CAS 478247-56-2) is a chemical compound with molecular formula C19H13F3N4S2 and molecular weight 418.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-d]pyrimidine
Also Known As: 9N-675S, methyl 1-phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidin-6-yl sulfide, 6-methylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[3,4-d]pyrimidine, 6-(methylsulfanyl)-1-phenyl-4-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C19H13F3N4S2 |
|---|---|
| Molecular Weight | 418.05 g/mol |
| LogP | 5.7074 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.05338 |
| Heavy Atoms | 28 |
| Complexity | 1127.1892 |
Chemical Identifiers
| CAS Number | 478247-56-2 |
|---|---|
| SMILES | CSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SC4=CC=CC(=C4)C(F)(F)F |
Product Overview
9N-675S (CAS 478247-56-2), with molecular formula C19H13F3N4S2 and molecular weight 418.05 g/mol. IUPAC: 6-methylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 9N-675S
Property Insights of 9N-675S
The XLogP value of 5.7074 indicates that 9N-675S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 9N-675S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9N-675S 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 9N-675S?
The CAS number of 9N-675S is 478247-56-2.
What is the molecular formula of 9N-675S?
The molecular formula of 9N-675S is C19H13F3N4S2.
What is the molecular weight of 9N-675S?
The molecular weight of 9N-675S is 418.05 g/mol.
Where can I buy 9N-675S?
You can request a quote for 9N-675S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9N-675S?
Yes, KEHONG BIO provides custom synthesis services for 9N-675S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.