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CAS 56891-66-8 4,6-DIMETHYLISOTHIAZOLO[5,4-B]PYRIDIN-3-AMINE molecular structure lightbox
CAS RN: 56891-66-8

4,6-DIMETHYLISOTHIAZOLO[5,4-B]PYRIDIN-3-AMINE

  • Product code: SSC-164928
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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: ＞97%
  • 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 56891-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

56891-66-8 / 4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-amine

Standard CAS: 56891-66-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56891-66-8
Multi CAS
No
Molecular Formula
C8H9N3S
Molecular Weight
179.240000
Exact Mass
179.051718
InChI
InChI=1S/C8H9N3S/c1-4-3-5(2)10-8-6(4)7(9)11-12-8/h3H,1-2H3,(H2,9,11)
InChIKey
YIHZHHMMABBXRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.3
TPSA
51.8

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
2
Consensus LogP
1.85
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.47

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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