CAS RN: 924473-59-6
T5601640
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8 package records7 with current stock3 grade groups
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| Batchno.20250105 |
1mg / 5mg / 10mg / 25mg |
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Shanghai | Inquiry |
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| Batchno.20260416 |
1ml |
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| Batchno.20250527 |
100mg |
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| Batchno.20251010 |
10mg |
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| Batchno.20251022 |
1mg |
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| Batchno.20260214 |
25mg |
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| Batchno.20260430 |
50mg |
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| Batchno.20260124 |
5mg |
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Product code:
starshine_CAS924473-59-6
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Purity/Analytical Methods:
>99.0%
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924473-59-6 / 3-methyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,2-oxazole-5-carboxamide
Standard CAS: 924473-59-6
Multi CAS: No
Basic Information
CAS
924473-59-6
Multi CAS
No
Molecular Formula
C19F3H14N3O3
Molecular Weight
389.300000
Exact Mass
389.098726
InChI
InChI=1S/C19H14F3N3O3/c1-11-8-16(28-25-11)18(27)24-14-6-2-4-12(9-14)17(26)23-15-7-3-5-13(10-15)19(20,21)22/h2-10H,1H3,(H,23,26)(H,24,27)
InChIKey
XVOKFRPKSAWELK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
95.03
TPSA
84.23
LogP / Solubility
WLOGP
4.51
MLOGP
3.99
XLogP3
3.7
Consensus LogP
4.07
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5