![CAS 519038-82-5 1H-IMidazo[1,2-a]iMidazole,2,3,5,6-tetrahydro-2,6-bis(1-Methylethyl)-, (2S,6S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/519038-82-5.gif)
CAS RN: 519038-82-5
1H-IMidazo[1,2-a]iMidazole,2,3,5,6-tetrahydro-2,6-bis(1-Methylethyl)-, (2S,6S)-
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| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260408 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS519038-82-5
- Purity/Analytical Methods: >99.0%
519038-82-5 / (2S,6S)-2,6-di(propan-2-yl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
Basic Information
CAS
519038-82-5
Multi CAS
Yes
Molecular Formula
C11H21N3
Molecular Weight
195.300000
Exact Mass
195.173548
InChI
InChI=1S/C11H21N3/c1-7(2)9-5-14-6-10(8(3)4)13-11(14)12-9/h7-10H,5-6H2,1-4H3,(H,12,13)/t9-,10-/m1/s1
InChIKey
FFMGOGYMUJDPEN-NXEZZACHSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.4
TPSA
27.63
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
1.8
Consensus LogP
1.42
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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