9N-676S
TL;DR: 9N-676S (CAS 478247-57-3) is a chemical compound with molecular formula C18H12Cl2N4S2 and molecular weight 417.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dichlorophenyl)sulfanyl-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidine
Also Known As: 9N-676S, 4-[(2,5-dichlorophenyl)sulfanyl]-6-(methylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine, 4-(2,5-dichlorophenyl)sulfanyl-6-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidine
| Molecular Formula | C18H12Cl2N4S2 |
|---|---|
| Molecular Weight | 417.99 g/mol |
| LogP | 5.9954 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.98804 |
| Heavy Atoms | 26 |
| Complexity | 1083.4463 |
Chemical Identifiers
| CAS Number | 478247-57-3 |
|---|---|
| SMILES | CSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SC4=C(C=CC(=C4)Cl)Cl |
Product Overview
9N-676S (CAS 478247-57-3), with molecular formula C18H12Cl2N4S2 and molecular weight 417.99 g/mol. IUPAC: 4-(2,5-dichlorophenyl)sulfanyl-6-methylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 9N-676S
Property Insights of 9N-676S
The XLogP value of 5.9954 indicates that 9N-676S 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-676S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9N-676S 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-676S?
The CAS number of 9N-676S is 478247-57-3.
What is the molecular formula of 9N-676S?
The molecular formula of 9N-676S is C18H12Cl2N4S2.
What is the molecular weight of 9N-676S?
The molecular weight of 9N-676S is 417.99 g/mol.
Where can I buy 9N-676S?
You can request a quote for 9N-676S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9N-676S?
Yes, KEHONG BIO provides custom synthesis services for 9N-676S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.