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CAS 75103-55-8 4,7-Dimethoxybenzo-2,1,3-thiadiazole molecular structure lightbox
CAS RN: 75103-55-8

4,7-Dimethoxybenzo-2,1,3-thiadiazole

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Batchno.20251008 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS75103-55-8
  • Purity/Analytical Methods: >99.0%
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75103-55-8 / 4,7-dimethoxy-2,1,3-benzothiadiazole

Standard CAS: 75103-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75103-55-8
Multi CAS
No
Molecular Formula
C8H8N2O2S
Molecular Weight
196.230000
Exact Mass
196.030649
InChI
InChI=1S/C8H8N2O2S/c1-11-5-3-4-6(12-2)8-7(5)9-13-10-8/h3-4H,1-2H3
InChIKey
IXMQUERKFCENNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
50.52
TPSA
44.24

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-2.7

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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