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CAS 877773-38-1 S,S-2,6-bis(1,1-diMethylethyl)-2,3,5,6-tetrahydro-1H-IMidazo[1,2-a]iMidazole molecular structure lightbox
CAS RN: 877773-38-1

S,S-2,6-bis(1,1-diMethylethyl)-2,3,5,6-tetrahydro-1H-IMidazo[1,2-a]iMidazole

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250605 100mg Out of stock Inquiry
Batchno.20251116 250mg Out of stock Inquiry
Batchno.20250105 50mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260227 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS877773-38-1
  • Purity/Analytical Methods: >99.0%
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877773-38-1 / (2S,6S)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole

Standard CAS: 877773-38-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
877773-38-1
Multi CAS
Yes
Molecular Formula
C13H25N3
Molecular Weight
223.360000
Exact Mass
223.204848
InChI
InChI=1S/C13H25N3/c1-12(2,3)9-7-16-8-10(13(4,5)6)15-11(16)14-9/h9-10H,7-8H2,1-6H3,(H,14,15)/t9-,10-/m1/s1
InChIKey
NHPAGFYCHIPMCC-NXEZZACHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.63
TPSA
27.63

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.6
Consensus LogP
2.18
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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