CAS RN: 1276617-62-9
VU 0409106
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250911 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250717 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250909 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251224 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250719 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260414 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1276617-62-9
- Purity/Analytical Methods: >99.0%
1276617-62-9 / 3-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide
Basic Information
CAS
1276617-62-9
Multi CAS
No
Molecular Formula
C15H11FN4O2S
Molecular Weight
330.300000
Exact Mass
330.058675
SMILES
CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)F)OC3=CN=CN=C3
InChI
InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)
InChIKey
AXVLPJHYYFHCHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
83.31
TPSA
77
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
2.4
Consensus LogP
2.95
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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