10R-0276
TL;DR: 10R-0276 (CAS 439096-28-3) is a chemical compound with molecular formula C24H19F3N2S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 10R-0276, 1-phenyl-3-{[3-(trifluoromethyl)benzyl]sulfanyl}-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 1-phenyl-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-PHENYL-3-([3-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE
| Molecular Formula | C24H19F3N2S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 6.81018 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.1221 |
| Heavy Atoms | 30 |
| Complexity | 1101.9144 |
Chemical Identifiers
| CAS Number | 439096-28-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2C3=CC=CC=C3)SCC4=CC(=CC=C4)C(F)(F)F)C#N |
Product Overview
10R-0276 (CAS 439096-28-3), with molecular formula C24H19F3N2S and molecular weight 424.12 g/mol. IUPAC: 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 10R-0276
Property Insights of 10R-0276
The XLogP value of 6.81018 indicates that 10R-0276 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 10R-0276 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10R-0276 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10R-0276?
The CAS number of 10R-0276 is 439096-28-3.
What is the molecular formula of 10R-0276?
The molecular formula of 10R-0276 is C24H19F3N2S.
What is the molecular weight of 10R-0276?
The molecular weight of 10R-0276 is 424.12 g/mol.
Where can I buy 10R-0276?
You can request a quote for 10R-0276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10R-0276?
Yes, KEHONG BIO provides custom synthesis services for 10R-0276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.