10N-644S
TL;DR: 10N-644S (CAS 477845-73-1) is a chemical compound with molecular formula C19H13F3N4OS and molecular weight 402.08 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)phenoxy]pyrazolo[5,4-d]pyrimidine
Also Known As: 10N-644S, 6-(methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl 3-(trifluoromethyl)phenyl ether, 6-(methylsulfanyl)-1-phenyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrazolo[3,4-d]pyrimidine, 6-methylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C19H13F3N4OS |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | 5.3485 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.0762 |
| Heavy Atoms | 28 |
| Complexity | 1129.1892 |
Chemical Identifiers
| CAS Number | 477845-73-1 |
|---|---|
| SMILES | CSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)OC4=CC=CC(=C4)C(F)(F)F |
Product Overview
10N-644S (CAS 477845-73-1), with molecular formula C19H13F3N4OS and molecular weight 402.08 g/mol. IUPAC: 6-methylsulfanyl-1-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 10N-644S
Property Insights of 10N-644S
The XLogP value of 5.3485 indicates that 10N-644S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.83 Ų, 10N-644S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10N-644S 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 10N-644S?
The CAS number of 10N-644S is 477845-73-1.
What is the molecular formula of 10N-644S?
The molecular formula of 10N-644S is C19H13F3N4OS.
What is the molecular weight of 10N-644S?
The molecular weight of 10N-644S is 402.08 g/mol.
Where can I buy 10N-644S?
You can request a quote for 10N-644S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10N-644S?
Yes, KEHONG BIO provides custom synthesis services for 10N-644S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.