CAS RN: 1372540-25-4
GSK2636771
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12 package records11 with current stock4 grade groups
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| Batchno.20250911 |
5mg / 10mg / 50mg |
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| Batchno.20250512 |
100mg |
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| Batchno.20250104 |
10mg |
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| Batchno.20251226 |
1g |
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| Batchno.20250723 |
1mg |
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| Batchno.20251204 |
250mg |
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| Batchno.20260516 |
50mg |
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| Batchno.20251222 |
5mg |
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| Batchno.20260601 |
10mg |
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| Batchno.20250306 |
50mg |
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| Batchno.20250426 |
5mg |
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| Batchno.20250919 |
1ml |
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Product code:
starshine_CAS1372540-25-4
-
Purity/Analytical Methods:
>99.0%
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1372540-25-4 / 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
Standard CAS: 1372540-25-4
Multi CAS: No
Basic Information
CAS
1372540-25-4
Multi CAS
No
Molecular Formula
C22H22F3N3O3
Molecular Weight
433.400000
Exact Mass
433.161326
SMILES
CC1=C(C=CC=C1C(F)(F)F)CN2C(=NC3=C(C=C(C=C32)N4CCOCC4)C(=O)O)C
InChI
InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)
InChIKey
XTKLTGBKIDQGQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
109.74
TPSA
67.59
LogP / Solubility
WLOGP
4.26
MLOGP
3.77
XLogP3
4
Consensus LogP
4.01
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.49
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3