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CAS 925437-87-2 tert-butyl 4-((6-(2-aMinophenyl)iMidazo[2,1-b]thiazol-3-yl)Methyl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 925437-87-2

tert-butyl 4-((6-(2-aMinophenyl)iMidazo[2,1-b]thiazol-3-yl)Methyl)piperazine-1-carboxylate

  • Product code: SSC-206248
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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 925437-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

925437-87-2 / tert-butyl 4-[[6-(2-aminophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]piperazine-1-carboxylate

Standard CAS: 925437-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
925437-87-2
Multi CAS
No
Molecular Formula
C21H27N5O2S
Molecular Weight
413.500000
Exact Mass
413.188546
InChI
InChI=1S/C21H27N5O2S/c1-21(2,3)28-20(27)25-10-8-24(9-11-25)12-15-14-29-19-23-18(13-26(15)19)16-6-4-5-7-17(16)22/h4-7,13-14H,8-12,22H2,1-3H3
InChIKey
MFENNGNCCWZOCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
14
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
116
TPSA
76.1

LogP / Solubility

WLOGP
3.7
MLOGP
3.28
XLogP3
3.4
Consensus LogP
3.46
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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