CAS RN: 1358575-02-6
FTBMT
Product Availability
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7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250322 | 10mg / 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250218 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250524 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260228 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250621 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251022 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260511 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1358575-02-6
- Purity/Analytical Methods: >99.0%
1358575-02-6 / 4-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methyl-1,2,4-triazol-1-yl]-2-methylbenzamide
Basic Information
CAS
1358575-02-6
Multi CAS
No
Molecular Formula
C19H16F4N4O
Molecular Weight
392.300000
Exact Mass
392.126024
SMILES
CC1=C(C=CC(=C1)N2C(=NC(=N2)CC3=CC(=CC(=C3)F)C(F)(F)F)C)C(=O)N
InChI
InChI=1S/C19H16F4N4O/c1-10-5-15(3-4-16(10)18(24)28)27-11(2)25-17(26-27)8-12-6-13(19(21,22)23)9-14(20)7-12/h3-7,9H,8H2,1-2H3,(H2,24,28)
InChIKey
TYXSIXOYTBHZFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
93.56
TPSA
73.8
LogP / Solubility
WLOGP
3.73
MLOGP
3.31
XLogP3
4.2
Consensus LogP
3.75
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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