CAS RN: 845647-80-5
BF 227
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.20260402 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS845647-80-5
- Purity/Analytical Methods: >99.0%
845647-80-5 / 5-[(E)-2-[6-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]ethenyl]-N,N-dimethyl-1,3-thiazol-2-amine
Basic Information
CAS
845647-80-5
Multi CAS
Yes
Molecular Formula
C16FH16N3O2S
Molecular Weight
333.400000
Exact Mass
333.094726
InChI
InChI=1S/C16H16FN3O2S/c1-20(2)16-18-10-12(23-16)4-6-15-19-13-5-3-11(21-8-7-17)9-14(13)22-15/h3-6,9-10H,7-8H2,1-2H3/b6-4+
InChIKey
GSZMUPHKOPBPPS-GQCTYLIASA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
14
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
90.85
TPSA
51.39
LogP / Solubility
WLOGP
3.87
MLOGP
3.42
XLogP3
3.9
Consensus LogP
3.73
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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
No
Log Kp (skin permeation)
-2.01
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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