CAS RN: 2307461-45-4
FAK ligand-Linker Conjugate 1
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.20250507 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2307461-45-4
- Purity/Analytical Methods: >99.0%
2307461-45-4 / 3-[2-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]ethoxy]propanoic acid
Basic Information
CAS
2307461-45-4
Multi CAS
No
Molecular Formula
C25H28F3N5O6S
Molecular Weight
583.600000
Exact Mass
583.171239
SMILES
CN(C1=CC=CC(=C1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)OCCOCCC(=O)O)S(=O)(=O)C
InChI
InChI=1S/C25H28F3N5O6S/c1-33(40(2,36)37)19-5-3-4-17(14-19)15-29-23-21(25(26,27)28)16-30-24(32-23)31-18-6-8-20(9-7-18)39-13-12-38-11-10-22(34)35/h3-9,14,16H,10-13,15H2,1-2H3,(H,34,35)(H2,29,30,31,32)
InChIKey
OSVHAJNGZCDBGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
14
H-bond acceptors
9
H-bond donors
3
Molar refractivity
142.34
TPSA
142.98
LogP / Solubility
WLOGP
4.12
MLOGP
3.67
XLogP3
3.2
Consensus LogP
3.66
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.55
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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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