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CAS 1379295-90-5 2-BroMo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-aMine molecular structure lightbox
CAS RN: 1379295-90-5

2-BroMo-4,5,6,7-tetrahydrobenzo[d]thiazol-6-aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250209 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1379295-90-5
  • Purity/Analytical Methods: >99.0%
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1379295-90-5 / 2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

Standard CAS: 1379295-90-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1379295-90-5
Multi CAS
No
Molecular Formula
C7H9BrN2S
Molecular Weight
233.130000
Exact Mass
231.966980
SMILES
C1CC2=C(CC1N)SC(=N2)Br
InChI
InChI=1S/C7H9BrN2S/c8-7-10-5-2-1-4(9)3-6(5)11-7/h4H,1-3,9H2
InChIKey
BKZWJPJKNKMPQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.81
TPSA
38.91

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.8
Consensus LogP
1.68
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

Drug-likeness / Medicinal Chemistry

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

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