CAS RN: 36926-85-9
Ethyl Quinazoline-4-acetate
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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 0.1g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 36926-85-9
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 0.25g |
≥95% |
1
In Stock
|
Beijing |
Inquiry |
| 0.1g |
≥95% |
0
Out of Stock
|
Beijing |
Inquiry |
| 1g |
≥95% |
0
Out of Stock
|
Shenzhen |
Inquiry |
36926-85-9 / ethyl 2-quinazolin-4-ylacetate
Standard CAS: 36926-85-9
Multi CAS: No
Basic Information
CAS
36926-85-9
Multi CAS
No
Molecular Formula
C12H12N2O2
Molecular Weight
216.240000
Exact Mass
216.089878
InChI
InChI=1S/C12H12N2O2/c1-2-16-12(15)7-11-9-5-3-4-6-10(9)13-8-14-11/h3-6,8H,2,7H2,1H3
InChIKey
FSSSRTNFQNKUJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
59.88
TPSA
52.08
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
1.7
Consensus LogP
1.66
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5