CAS RN: 607-19-2
3-METHYLQUINAZOLINE-2,4(1H,3H)-DIONE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250718 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS607-19-2
- Purity/Analytical Methods: >99.0%
607-19-2 / 3-methyl-1H-quinazoline-2,4-dione
Basic Information
CAS
607-19-2
Multi CAS
Yes
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
InChI
InChI=1S/C9H8N2O2/c1-11-8(12)6-4-2-3-5-7(6)10-9(11)13/h2-5H,1H3,(H,10,13)
InChIKey
LFGZKCYBINPOTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.81
TPSA
54.86
LogP / Solubility
WLOGP
0.23
MLOGP
0.2
XLogP3
0.6
Consensus LogP
0.34
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.63
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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