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CAS 1132827-30-5 2-(4-Aminophenyl)imidazo[2,1-b]benzothiazol-7-ol molecular structure lightbox
CAS RN: 1132827-30-5

2-(4-Aminophenyl)imidazo[2,1-b]benzothiazol-7-ol

  • Product code: SSC-013435
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1132827-30-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1132827-30-5 / 2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol

2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-7-ol | 2-(4-Aminophenyl)imidazo[2,1-b]benzothiazol-7-ol | CHEMBL1672896

Standard CAS: 1132827-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1132827-30-5
Multi CAS
No
Molecular Formula
C15H11N3OS
Molecular Weight
281.300000
Exact Mass
281.062283
SMILES
C1=CC(=CC=C1C2=CN3C4=C(C=C(C=C4)O)SC3=N2)N
InChI
InChI=1S/C15H11N3OS/c16-10-3-1-9(2-4-10)12-8-18-13-6-5-11(19)7-14(13)20-15(18)17-12/h1-8,19H,16H2
InChIKey
HTPOSANNBYPDRZ-UHFFFAOYSA-N
Synonyms
2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-7-ol 2-(4-Aminophenyl)imidazo[2,1-b]benzothiazol-7-ol CHEMBL1672896 SCHEMBL20303360 DTXSID901235629

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
82.09
TPSA
63.55

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
3.9
Consensus LogP
3.5
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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