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CAS 1427448-37-0 2-amino-4-fluorobenzo[D]thiazole-6-carbonitrile molecular structure lightbox
CAS RN: 1427448-37-0

2-amino-4-fluorobenzo[D]thiazole-6-carbonitrile

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251205 100mg / 500mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250911 100mg In stock Shanghai Inquiry
Batchno.20250503 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1427448-37-0
  • Purity/Analytical Methods: >99.0%
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1427448-37-0 / 2-amino-4-fluoro-1,3-benzothiazole-6-carbonitrile

Standard CAS: 1427448-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427448-37-0
Multi CAS
No
Molecular Formula
C8H4FN3S
Molecular Weight
193.200000
Exact Mass
193.010996
SMILES
C1=C(C=C2C(=C1F)N=C(S2)N)C#N
InChI
InChI=1S/C8H4FN3S/c9-5-1-4(3-10)2-6-7(5)12-8(11)13-6/h1-2H,(H2,11,12)
InChIKey
HQJWVMZREMMKQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.71
TPSA
62.7

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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