11L-636S
TL;DR: 11L-636S (CAS 303985-67-3) is a chemical compound with molecular formula C22H17F3N4S and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-6-(prop-2-enylamino)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile
Also Known As: 11L-636S, 4-(allylamino)-6-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-pyrimidinecarbonitrile, 4-phenyl-6-(prop-2-enylamino)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile, 4-phenyl-6-[(prop-2-en-1-yl)amino]-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine-5-carbonitrile
| Molecular Formula | C22H17F3N4S |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 5.92428 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.1126 |
| Heavy Atoms | 30 |
| Complexity | 1075.9762 |
Chemical Identifiers
| CAS Number | 303985-67-3 |
|---|---|
| SMILES | C=CCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC(=CC=C3)C(F)(F)F |
Product Overview
11L-636S (CAS 303985-67-3), with molecular formula C22H17F3N4S and molecular weight 426.11 g/mol. IUPAC: 4-phenyl-6-(prop-2-enylamino)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile.
Chemical Property Profile of 11L-636S
Property Insights of 11L-636S
The XLogP value of 5.92428 indicates that 11L-636S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 11L-636S. Following Lipinski's Rule of Five, 11L-636S has 1 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-636S?
The CAS number of 11L-636S is 303985-67-3.
What is the molecular formula of 11L-636S?
The molecular formula of 11L-636S is C22H17F3N4S.
What is the molecular weight of 11L-636S?
The molecular weight of 11L-636S is 426.11 g/mol.
Where can I buy 11L-636S?
You can request a quote for 11L-636S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11L-636S?
Yes, KEHONG BIO provides custom synthesis services for 11L-636S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.