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CAS 1427363-00-5 6-Bromo-4-chloro-2-methyl-benzothiazole molecular structure lightbox
CAS RN: 1427363-00-5

6-Bromo-4-chloro-2-methyl-benzothiazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260203 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1427363-00-5
  • Purity/Analytical Methods: >99.0%
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1427363-00-5 / 6-bromo-4-chloro-2-methyl-1,3-benzothiazole

Standard CAS: 1427363-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427363-00-5
Multi CAS
No
Molecular Formula
C8H5BrClNS
Molecular Weight
262.550000
Exact Mass
260.901460
SMILES
CC1=NC2=C(S1)C=C(C=C2Cl)Br
InChI
InChI=1S/C8H5BrClNS/c1-4-11-8-6(10)2-5(9)3-7(8)12-4/h2-3H,1H3
InChIKey
BHBTYRGSMHBCSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
57.07
TPSA
12.89

LogP / Solubility

WLOGP
4.02
MLOGP
3.55
XLogP3
4.1
Consensus LogP
3.89
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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)
-1.47

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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