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CAS 75104-96-0 6-Bromo-N,N-dimethyl-1,3-benzothiazol-2-amine molecular structure lightbox
CAS RN: 75104-96-0

6-Bromo-N,N-dimethyl-1,3-benzothiazol-2-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250205 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS75104-96-0
  • Purity/Analytical Methods: >99.0%
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75104-96-0 / 6-bromo-N,N-dimethyl-1,3-benzothiazol-2-amine

Standard CAS: 75104-96-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75104-96-0
Multi CAS
No
Molecular Formula
BC9H9Rn2S
Molecular Weight
257.150000
Exact Mass
255.966980
InChI
InChI=1S/C9H9BrN2S/c1-12(2)9-11-7-4-3-6(10)5-8(7)13-9/h3-5H,1-2H3
InChIKey
PENHZFPQKJYVDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.65
TPSA
16.13

LogP / Solubility

WLOGP
3.12
MLOGP
2.76
XLogP3
3.5
Consensus LogP
3.13
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
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)
-2.07

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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