9N-322S
TL;DR: 9N-322S (CAS 478246-84-3) is a chemical compound with molecular formula C20H15F3N2S2 and molecular weight 404.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-thiochromeno[4,3-d]pyrimidine
Also Known As: 9N-322S, 9-methyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5H-thiochromeno[4,3-d]pyrimidine, 9-methyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H-thiochromeno[4,3-d]pyrimidine, 9-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-thiochromeno[4,3-d]pyrimidine
| Molecular Formula | C20H15F3N2S2 |
|---|---|
| Molecular Weight | 404.06 g/mol |
| LogP | 6.36882 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.06287 |
| Heavy Atoms | 27 |
| Complexity | 1002.75726 |
Chemical Identifiers
| CAS Number | 478246-84-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SCC3=CN=C(N=C32)SCC4=CC(=CC=C4)C(F)(F)F |
Product Overview
9N-322S (CAS 478246-84-3), with molecular formula C20H15F3N2S2 and molecular weight 404.06 g/mol. IUPAC: 9-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5H-thiochromeno[4,3-d]pyrimidine.
Chemical Property Profile of 9N-322S
Property Insights of 9N-322S
The XLogP value of 6.36882 indicates that 9N-322S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 9N-322S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9N-322S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9N-322S?
The CAS number of 9N-322S is 478246-84-3.
What is the molecular formula of 9N-322S?
The molecular formula of 9N-322S is C20H15F3N2S2.
What is the molecular weight of 9N-322S?
The molecular weight of 9N-322S is 404.06 g/mol.
Where can I buy 9N-322S?
You can request a quote for 9N-322S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9N-322S?
Yes, KEHONG BIO provides custom synthesis services for 9N-322S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.