CAS RN: 1415560-64-3
GSK-256066 (2,2,2-trifluoroacetic acid)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250707 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1415560-64-3
- Purity/Analytical Methods: >99.0%
1415560-64-3 / 6-[3-(dimethylcarbamoyl)phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
Basic Information
CAS
1415560-64-3
Multi CAS
No
Molecular Formula
C29H27F3N4O7S
Molecular Weight
632.600000
Exact Mass
632.155255
SMILES
CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)N(C)C.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C27H26N4O5S.C2HF3O2/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4;3-2(4,5)1(6)7/h5-15H,1-4H3,(H2,28,32)(H,29,30);(H,6,7)
InChIKey
PTTKEASHQDSBJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
22
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
3
Molar refractivity
154.88
TPSA
168.99
LogP / Solubility
WLOGP
4.56
MLOGP
4.07
XLogP3
4.56
Consensus LogP
4.4
Log S (ESOL)
-6.54
Class (ESOL)
Insoluble
Log S (Ali)
-8.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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