CAS RN: 16347-95-8
4-Methoxyquinazoline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250210 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16347-95-8
- Purity/Analytical Methods: >99.0%
16347-95-8 / 4-methoxyquinazoline
Basic Information
CAS
16347-95-8
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
SMILES
COC1=NC=NC2=CC=CC=C21
InChI
InChI=1S/C9H8N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h2-6H,1H3
InChIKey
QHHPPKHDJVVPQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.09
TPSA
35.01
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
2
Consensus LogP
1.69
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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