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CAS 36246-11-4 4-(5-METHOXY-1H-INDOL-3-YL)-THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 36246-11-4

4-(5-METHOXY-1H-INDOL-3-YL)-THIAZOL-2-YLAMINE

  • Product code: SSC-143407
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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 36246-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

36246-11-4 / 4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-amine

Standard CAS: 36246-11-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36246-11-4
Multi CAS
No
Molecular Formula
C12H11N3OS
Molecular Weight
245.300000
Exact Mass
245.062283
InChI
InChI=1S/C12H11N3OS/c1-16-7-2-3-10-8(4-7)9(5-14-10)11-6-17-12(13)15-11/h2-6,14H,1H3,(H2,13,15)
InChIKey
DSMFLFNPUPWNQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.37
TPSA
63.93

LogP / Solubility

WLOGP
2.88
MLOGP
2.54
XLogP3
2.4
Consensus LogP
2.61
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

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

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