CAS RN: 852399-73-6
2-HYDRAZINO-3-(3-ISOPROPOXYPROPYL)QUINAZOLIN-4(3H)-ONE
- Product code: SSC-193539
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: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
852399-73-6 / 2-hydrazinyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one
Basic Information
CAS
852399-73-6
Multi CAS
No
Molecular Formula
C14H20N4O2
Molecular Weight
276.330000
Exact Mass
276.158626
InChI
InChI=1S/C14H20N4O2/c1-10(2)20-9-5-8-18-13(19)11-6-3-4-7-12(11)16-14(18)17-15/h3-4,6-7,10H,5,8-9,15H2,1-2H3,(H,16,17)
InChIKey
ZQRGYPIJZHGLHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
79.52
TPSA
82.17
LogP / Solubility
WLOGP
1.5
MLOGP
1.33
XLogP3
1
Consensus LogP
1.28
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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