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CAS 60374-43-8 BENTAZONE-8-HYDROXY molecular structure lightbox
CAS RN: 60374-43-8

BENTAZONE-8-HYDROXY

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251014 25mg / 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS60374-43-8
  • Purity/Analytical Methods: >99.0%
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60374-43-8 / 8-hydroxy-2,2-dioxo-3-propan-2-yl-1H-2lambda6,1,3-benzothiadiazin-4-one

Standard CAS: 60374-43-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60374-43-8
Multi CAS
Yes
Molecular Formula
C10H12N2O4S
Molecular Weight
256.280000
Exact Mass
256.051778
InChI
InChI=1S/C10H12N2O4S/c1-6(2)12-10(14)7-4-3-5-8(13)9(7)11-17(12,15)16/h3-6,11,13H,1-2H3
InChIKey
WJJLUCLOKVGHGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.95
TPSA
86.71

LogP / Solubility

WLOGP
0.91
MLOGP
0.81
XLogP3
2.4
Consensus LogP
1.37
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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