CAS RN: 4425-23-4
7,8,9,10-tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260330 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS4425-23-4
- Purity/Analytical Methods: >99.0%
4425-23-4 / 7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
Basic Information
CAS
4425-23-4
Multi CAS
Yes
Molecular Formula
C13H14N2O
Molecular Weight
214.260000
Exact Mass
214.110613
InChI
InChI=1S/C13H14N2O/c16-13-10-6-3-4-7-11(10)14-12-8-2-1-5-9-15(12)13/h3-4,6-7H,1-2,5,8-9H2
InChIKey
HTLIIBRHXAULMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.38
H-bond acceptors
3
Molar refractivity
63.56
TPSA
34.89
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
1.7
Consensus LogP
1.9
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-2.52
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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- Product Code: starshine_CAS4430-09-5
- Purity/Analytical method: >99.0%
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