CAS RN: 727664-91-7
MLS0315771
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260414 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS727664-91-7
- Purity/Analytical Methods: >99.0%
727664-91-7 / 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
Basic Information
CAS
727664-91-7
Multi CAS
No
Molecular Formula
C15FH12NOS
Molecular Weight
273.300000
Exact Mass
273.062363
InChI
InChI=1S/C15H12FNOS/c1-9-3-4-10(2)13(7-9)17-15(18)12-6-5-11(16)8-14(12)19-17/h3-8H,1-2H3
InChIKey
GRGDWLDSVPJEJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
76.85
TPSA
22
LogP / Solubility
WLOGP
3.81
MLOGP
3.36
XLogP3
3.8
Consensus LogP
3.66
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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