CAS RN: 428861-91-0
PNU-176798
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260526 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS428861-91-0
- Purity/Analytical Methods: >99.0%
428861-91-0 / N-[[(5S)-3-[4-(5-cyano-1,3-thiazol-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Basic Information
CAS
428861-91-0
Multi CAS
Yes
Molecular Formula
C16FH13N4O3S
Molecular Weight
360.400000
Exact Mass
360.069240
InChI
InChI=1S/C16H13FN4O3S/c1-9(22)19-6-11-8-21(16(23)24-11)10-2-3-13(14(17)4-10)15-20-7-12(5-18)25-15/h2-4,7,11H,6,8H2,1H3,(H,19,22)/t11-/m0/s1
InChIKey
FGUCVLMMGZZQBB-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
88.52
TPSA
95.32
LogP / Solubility
WLOGP
2.28
MLOGP
2.03
XLogP3
1.7
Consensus LogP
2
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
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
No
Log Kp (skin permeation)
-3.3
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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