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CAS 60750-75-6 4,6-DiMethylisothiazolo[5,4-b]pyridin-3(2H)-one molecular structure lightbox
CAS RN: 60750-75-6

4,6-DiMethylisothiazolo[5,4-b]pyridin-3(2H)-one

  • Product code: SSC-169399
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 60750-75-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

60750-75-6 / 4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one

Standard CAS: 60750-75-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60750-75-6
Multi CAS
Yes
Molecular Formula
C8H8N2OS
Molecular Weight
180.230000
Exact Mass
180.035734
InChI
InChI=1S/C8H8N2OS/c1-4-3-5(2)9-8-6(4)7(11)10-12-8/h3H,1-2H3,(H,10,11)
InChIKey
LXCCCCOECARKEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.71
TPSA
45.75

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.3
Consensus LogP
1.44
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.68

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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