CAS RN: 260443-89-8
NSC-703786
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250331 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS260443-89-8
- Purity/Analytical Methods: >99.0%
260443-89-8 / 4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
Basic Information
CAS
260443-89-8
Multi CAS
No
Molecular Formula
C14H11FN2S
Molecular Weight
258.320000
Exact Mass
258.062698
SMILES
CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)N
InChI
InChI=1S/C14H11FN2S/c1-8-6-9(2-4-11(8)16)14-17-12-7-10(15)3-5-13(12)18-14/h2-7H,16H2,1H3
InChIKey
IFWLHIIUGSEKKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.16
TPSA
38.91
LogP / Solubility
WLOGP
3.99
MLOGP
3.52
XLogP3
3.8
Consensus LogP
3.77
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
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)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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