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CAS 1998062-49-9 7-bromo-5-methoxybenzo[d]thiazol-2-amine molecular structure lightbox
CAS RN: 1998062-49-9

7-bromo-5-methoxybenzo[d]thiazol-2-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251121 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1998062-49-9
  • Purity/Analytical Methods: >99.0%
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1998062-49-9 / 7-bromo-5-methoxy-1,3-benzothiazol-2-amine

Standard CAS: 1998062-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1998062-49-9
Multi CAS
No
Molecular Formula
C8H7BrN2OS
Molecular Weight
259.130000
Exact Mass
257.946250
SMILES
COC1=CC2=C(C(=C1)Br)SC(=N2)N
InChI
InChI=1S/C8H7BrN2OS/c1-12-4-2-5(9)7-6(3-4)11-8(10)13-7/h2-3H,1H3,(H2,10,11)
InChIKey
OZDWXRPFTKXODO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.28
TPSA
48.14

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.7
Consensus LogP
2.56
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.42

Drug-likeness / Medicinal Chemistry

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

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