CAS RN: 1415559-41-9
MK8245 Trifluoroacetate
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.20260520 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1415559-41-9
- Purity/Analytical Methods: >99.0%
1415559-41-9 / 2-[5-[3-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid;2,2,2-trifluoroacetic acid
Basic Information
CAS
1415559-41-9
Multi CAS
No
Molecular Formula
C19H17BrF4N6O6
Molecular Weight
581.300000
Exact Mass
580.032910
SMILES
C1CN(CCC1OC2=C(C=CC(=C2)F)Br)C3=NOC(=C3)C4=NN(N=N4)CC(=O)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C17H16BrFN6O4.C2HF3O2/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27;3-2(4,5)1(6)7/h1-2,7-8,11H,3-6,9H2,(H,26,27);(H,6,7)
InChIKey
LEBPCMXFQYATAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
16
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
2
Molar refractivity
114.6
TPSA
156.7
LogP / Solubility
WLOGP
3
MLOGP
2.68
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.14
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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![CAS 1415559-47-5 3-iodo-6-methyl-1H-pyrazolo[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415559-47-5.gif)
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