11L-638S
TL;DR: 11L-638S (CAS 303985-69-5) is a chemical compound with molecular formula C24H22F3N5S and molecular weight 469.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylpiperazin-1-yl)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile
Also Known As: 11L-638S, 4-(4-methylpiperazino)-6-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-pyrimidinecarbonitrile, 4-(4-methylpiperazin-1-yl)-6-phenyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine-5-carbonitrile, 4-(4-methylpiperazin-1-yl)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile
| Molecular Formula | C24H22F3N5S |
|---|---|
| Molecular Weight | 469.15 g/mol |
| LogP | 5.07818 |
| Topological Polar Surface Area | 56.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.15482 |
| Heavy Atoms | 33 |
| Complexity | 1152.9967 |
Chemical Identifiers
| CAS Number | 303985-69-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4=CC(=CC=C4)C(F)(F)F |
Product Overview
11L-638S (CAS 303985-69-5), with molecular formula C24H22F3N5S and molecular weight 469.15 g/mol. IUPAC: 4-(4-methylpiperazin-1-yl)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile.
Chemical Property Profile of 11L-638S
Property Insights of 11L-638S
The XLogP value of 5.07818 indicates that 11L-638S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.05 Ų, 11L-638S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11L-638S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11L-638S?
The CAS number of 11L-638S is 303985-69-5.
What is the molecular formula of 11L-638S?
The molecular formula of 11L-638S is C24H22F3N5S.
What is the molecular weight of 11L-638S?
The molecular weight of 11L-638S is 469.15 g/mol.
Where can I buy 11L-638S?
You can request a quote for 11L-638S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11L-638S?
Yes, KEHONG BIO provides custom synthesis services for 11L-638S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.