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CAS 75104-92-6 6-broMo-N-Methyl-1,3-benzothiazol-2-aMine molecular structure lightbox
CAS RN: 75104-92-6

6-broMo-N-Methyl-1,3-benzothiazol-2-aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 50mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS75104-92-6
  • Purity/Analytical Methods: >99.0%
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75104-92-6 / 6-bromo-N-methyl-1,3-benzothiazol-2-amine

Standard CAS: 75104-92-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75104-92-6
Multi CAS
No
Molecular Formula
BC8H7Rn2S
Molecular Weight
243.130000
Exact Mass
241.951330
InChI
InChI=1S/C8H7BrN2S/c1-10-8-11-6-3-2-5(9)4-7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKey
RVCBMFKGDVUUDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.87
TPSA
24.92

LogP / Solubility

WLOGP
3.1
MLOGP
2.73
XLogP3
3.4
Consensus LogP
3.08
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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

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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