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CAS 328087-15-6 4-(6-Fluorobenzo[d]thiazol-2-yl)benzenaMine molecular structure lightbox
CAS RN: 328087-15-6

4-(6-Fluorobenzo[d]thiazol-2-yl)benzenaMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250917 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS328087-15-6
  • Purity/Analytical Methods: >99.0%
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328087-15-6 / 4-(6-fluoro-1,3-benzothiazol-2-yl)aniline

Standard CAS: 328087-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
328087-15-6
Multi CAS
No
Molecular Formula
C13FH9N2S
Molecular Weight
244.290000
Exact Mass
244.047048
InChI
InChI=1S/C13H9FN2S/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2
InChIKey
FIHRCVGMRDXVHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.43
TPSA
38.91

LogP / Solubility

WLOGP
3.68
MLOGP
3.25
XLogP3
3.7
Consensus LogP
3.54
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

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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