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CAS 292644-35-0 3-BENZOTHIAZOL-2-YL-2-METHYL-PHENYLAMINE molecular structure lightbox
CAS RN: 292644-35-0

3-BENZOTHIAZOL-2-YL-2-METHYL-PHENYLAMINE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251014 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260526 1g In stock Shanghai Inquiry
Batchno.20250730 250mg In stock Shanghai Inquiry
Batchno.20260304 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS292644-35-0
  • Purity/Analytical Methods: >99.0%
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292644-35-0 / 3-(1,3-benzothiazol-2-yl)-2-methylaniline

Standard CAS: 292644-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
292644-35-0
Multi CAS
No
Molecular Formula
C14H12N2S
Molecular Weight
240.330000
Exact Mass
240.072120
InChI
InChI=1S/C14H12N2S/c1-9-10(5-4-6-11(9)15)14-16-12-7-2-3-8-13(12)17-14/h2-8H,15H2,1H3
InChIKey
BJDZJFVKBZFUDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.21
TPSA
38.91

LogP / Solubility

WLOGP
3.85
MLOGP
3.4
XLogP3
3.9
Consensus LogP
3.72
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

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

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