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CAS 914366-54-4 7-iodobenzo[d]thiazol-6-amine molecular structure lightbox
CAS RN: 914366-54-4

7-iodobenzo[d]thiazol-6-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS914366-54-4
  • Purity/Analytical Methods: >99.0%
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914366-54-4 / 7-iodo-1,3-benzothiazol-6-amine

Standard CAS: 914366-54-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914366-54-4
Multi CAS
No
Molecular Formula
C7H5In2S
Molecular Weight
276.100000
Exact Mass
275.921820
InChI
InChI=1S/C7H5IN2S/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,9H2
InChIKey
BCYYTJMZHGBKFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.75
TPSA
38.91

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
2.3
Consensus LogP
2.32
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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