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CAS 38338-21-5 2-Benzothiazolamine,6-chloro-4-methyl-(9CI) molecular structure lightbox
CAS RN: 38338-21-5

2-Benzothiazolamine,6-chloro-4-methyl-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260407 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS38338-21-5
  • Purity/Analytical Methods: >99.0%
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38338-21-5 / 6-chloro-4-methyl-1,3-benzothiazol-2-amine

Standard CAS: 38338-21-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38338-21-5
Multi CAS
No
Molecular Formula
C8H7CLN2S
Molecular Weight
198.670000
Exact Mass
198.001847
InChI
InChI=1S/C8H7ClN2S/c1-4-2-5(9)3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11)
InChIKey
DBZBJLJYSYHKJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.78
TPSA
38.91

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
3
Consensus LogP
2.78
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

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

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