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CAS 64951-09-3 IMIDAZO[2,1-B][1,3]BENZOTHIAZOLE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 64951-09-3

IMIDAZO[2,1-B][1,3]BENZOTHIAZOLE-2-CARBOXYLIC ACID

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5 package records4 with current stock2 grade groups
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Batchno.20250723 1g In stock Inquiry
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Batchno.20250324 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS64951-09-3
  • Purity/Analytical Methods: >99.0%
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64951-09-3 / imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

Standard CAS: 64951-09-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64951-09-3
Multi CAS
Yes
Molecular Formula
C10H6N2O2S
Molecular Weight
218.230000
Exact Mass
218.014999
InChI
InChI=1S/C10H6N2O2S/c13-9(14)6-5-12-7-3-1-2-4-8(7)15-10(12)11-6/h1-5H,(H,13,14)
InChIKey
RPTIDKXUZBSTRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.53
TPSA
54.6

LogP / Solubility

WLOGP
2.25
MLOGP
1.98
XLogP3
3.1
Consensus LogP
2.44
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.46

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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