11L-639S
TL;DR: 11L-639S (CAS 303985-70-8) is a chemical compound with molecular formula C23H21F3N4S and molecular weight 442.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile
Also Known As: 11L-639S, 4-(diethylamino)-6-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-pyrimidinecarbonitrile, 4-(diethylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile, 4-(diethylamino)-6-phenyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine-5-carbonitrile, 4-(Diethylamino)-6-phenyl-2-((3-(trifluoromethyl)benzyl)thio)pyrimidine-5-carbonitrile
| Molecular Formula | C23H21F3N4S |
|---|---|
| Molecular Weight | 442.14 g/mol |
| LogP | 6.17258 |
| Topological Polar Surface Area | 52.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.1439 |
| Heavy Atoms | 31 |
| Complexity | 1074.415 |
Chemical Identifiers
| CAS Number | 303985-70-8 |
|---|---|
| SMILES | CCN(CC)C1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC(=CC=C3)C(F)(F)F |
Product Overview
11L-639S (CAS 303985-70-8), with molecular formula C23H21F3N4S and molecular weight 442.14 g/mol. IUPAC: 4-(diethylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile.
Chemical Property Profile of 11L-639S
Property Insights of 11L-639S
The XLogP value of 6.17258 indicates that 11L-639S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.81 Ų, 11L-639S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11L-639S 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-639S?
The CAS number of 11L-639S is 303985-70-8.
What is the molecular formula of 11L-639S?
The molecular formula of 11L-639S is C23H21F3N4S.
What is the molecular weight of 11L-639S?
The molecular weight of 11L-639S is 442.14 g/mol.
Where can I buy 11L-639S?
You can request a quote for 11L-639S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11L-639S?
Yes, KEHONG BIO provides custom synthesis services for 11L-639S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.