11L-506S
TL;DR: 11L-506S (CAS 303985-01-5) is a chemical compound with molecular formula C20H14F3N3S2 and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carbonitrile
Also Known As: 11L-506S, 4-(4-methylphenyl)-2-(methylsulfanyl)-6-{[3-(trifluoromethyl)phenyl]sulfanyl}-5-pyrimidinecarbonitrile, 4-(4-methylphenyl)-2-(methylsulfanyl)-6-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine-5-carbonitrile, 4-(4-methylphenyl)-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carbonitrile
| Molecular Formula | C20H14F3N3S2 |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 6.2156 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.05814 |
| Heavy Atoms | 28 |
| Complexity | 1042.0421 |
Chemical Identifiers
| CAS Number | 303985-01-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)SC3=CC=CC(=C3)C(F)(F)F)C#N |
Product Overview
11L-506S (CAS 303985-01-5), with molecular formula C20H14F3N3S2 and molecular weight 417.06 g/mol. IUPAC: 4-(4-methylphenyl)-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 11L-506S
Property Insights of 11L-506S
The XLogP value of 6.2156 indicates that 11L-506S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 11L-506S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11L-506S 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 11L-506S?
The CAS number of 11L-506S is 303985-01-5.
What is the molecular formula of 11L-506S?
The molecular formula of 11L-506S is C20H14F3N3S2.
What is the molecular weight of 11L-506S?
The molecular weight of 11L-506S is 417.06 g/mol.
Where can I buy 11L-506S?
You can request a quote for 11L-506S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11L-506S?
Yes, KEHONG BIO provides custom synthesis services for 11L-506S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.