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CAS 443987-59-5 1-METHYL-1,3-DIHYDRO-BENZO[1,2,5]THIADIAZOLE 2,2-DIOXIDE molecular structure lightbox
CAS RN: 443987-59-5

1-METHYL-1,3-DIHYDRO-BENZO[1,2,5]THIADIAZOLE 2,2-DIOXIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260316 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS443987-59-5
  • Purity/Analytical Methods: >99.0%
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443987-59-5 / 3-methyl-1H-2lambda6,1,3-benzothiadiazole 2,2-dioxide

Standard CAS: 443987-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
443987-59-5
Multi CAS
No
Molecular Formula
C7H8N2O2S
Molecular Weight
184.220000
Exact Mass
184.030649
InChI
InChI=1S/C7H8N2O2S/c1-9-7-5-3-2-4-6(7)8-12(9,10)11/h2-5,8H,1H3
InChIKey
QBMJWJJDVZNBTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.39
TPSA
49.41

LogP / Solubility

WLOGP
0.79
MLOGP
0.7
XLogP3
0.4
Consensus LogP
0.63
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

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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