CAS RN: 1022152-70-0
MK-5046
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260211 | 2mg / 5mg / 25mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1022152-70-0
- Purity/Analytical Methods: >99.0%
1022152-70-0 / (2S)-1,1,1-trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
(S)-MK-5046 | SCHEMBL3501104 | UJINBEQCDMOAHM-UHFFFAOYSA-N
Basic Information
CAS
1022152-70-0
Multi CAS
Yes
Molecular Formula
C20H18F6N4O
Molecular Weight
444.400000
Exact Mass
444.138480
SMILES
C1CC1(CC2=CN=C(N2)C[C@](C3=CC=C(C=C3)N4C=CC=N4)(C(F)(F)F)O)C(F)(F)F
InChI
InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1
InChIKey
UJINBEQCDMOAHM-SFHVURJKSA-N
Synonyms
(S)-MK-5046
SCHEMBL3501104
UJINBEQCDMOAHM-UHFFFAOYSA-N
AKOS026750364
F85255
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
97.23
TPSA
66.73
LogP / Solubility
WLOGP
4.47
MLOGP
3.97
XLogP3
4.1
Consensus LogP
4.18
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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