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CAS 1383740-05-3 Methyl 2-chloro-4-methoxybenzo[d]thiazole-6-carboxylate molecular structure lightbox
CAS RN: 1383740-05-3

Methyl 2-chloro-4-methoxybenzo[d]thiazole-6-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1383740-05-3
  • Purity/Analytical Methods: >99.0%
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1383740-05-3 / methyl 2-chloro-4-methoxy-1,3-benzothiazole-6-carboxylate

Standard CAS: 1383740-05-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1383740-05-3
Multi CAS
No
Molecular Formula
C10H8ClNO3S
Molecular Weight
257.690000
Exact Mass
256.991342
SMILES
COC1=C2C(=CC(=C1)C(=O)OC)SC(=N2)Cl
InChI
InChI=1S/C10H8ClNO3S/c1-14-6-3-5(9(13)15-2)4-7-8(6)12-10(11)16-7/h3-4H,1-2H3
InChIKey
DVAQLKVNVWANSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
62.52
TPSA
48.42

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
3.2
Consensus LogP
2.79
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-2.34

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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