CAS RN: 70018-51-8
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250717 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS70018-51-8
- Purity/Analytical Methods: >99.0%
70018-51-8 / (3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
Basic Information
CAS
70018-51-8
Multi CAS
Yes
Molecular Formula
C11H10CLN3O
Molecular Weight
235.670000
Exact Mass
235.051240
InChI
InChI=1S/C11H10ClN3O/c1-6-10(16)14-11-13-9-4-2-3-8(12)7(9)5-15(6)11/h2-4,6H,5H2,1H3,(H,13,14,16)/t6-/m1/s1
InChIKey
BHZFZYLBVSWUMT-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.69
TPSA
44.7
LogP / Solubility
WLOGP
1.66
MLOGP
1.47
XLogP3
1.4
Consensus LogP
1.51
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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