CAS RN: 1929519-13-0
TAK-041
Product Availability
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10 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251110 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251220 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250725 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260304 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260613 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250902 | 50mg | Out of stock | Inquiry | ||
| Batchno.20260501 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1929519-13-0
- Purity/Analytical Methods: >99.0%
1929519-13-0 / 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
Basic Information
CAS
1929519-13-0
Multi CAS
No
Molecular Formula
C18H15F3N4O3
Molecular Weight
392.300000
Exact Mass
392.109625
SMILES
C[C@@H](C1=CC=C(C=C1)OC(F)(F)F)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2
InChI
InChI=1S/C18H15F3N4O3/c1-11(12-6-8-13(9-7-12)28-18(19,20)21)22-16(26)10-25-17(27)14-4-2-3-5-15(14)23-24-25/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1
InChIKey
JZGLECLGVQRPPI-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
93.48
TPSA
86.11
LogP / Solubility
WLOGP
2.57
MLOGP
2.28
XLogP3
4
Consensus LogP
2.95
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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