CAS RN: 60512-86-9
3-(METHYLAMINO)-3,4-DIHYDROQUINAZOLIN-4-ONE
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.20260206 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS60512-86-9
- Purity/Analytical Methods: >99.0%
60512-86-9 / 3-(methylamino)quinazolin-4-one
Basic Information
CAS
60512-86-9
Multi CAS
No
Molecular Formula
C9H9N3O
Molecular Weight
175.190000
Exact Mass
175.074562
InChI
InChI=1S/C9H9N3O/c1-10-12-6-11-8-5-3-2-4-7(8)9(12)13/h2-6,10H,1H3
InChIKey
JKSIQISCRSIACR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.29
TPSA
46.92
LogP / Solubility
WLOGP
0.57
MLOGP
0.5
XLogP3
0.5
Consensus LogP
0.52
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
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)
-3.38
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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- CAS RN: 60520-47-0
- Product Code: starshine_CAS60520-47-0
- Purity/Analytical method: >99.0%
