CAS RN: 19181-69-2
6-hydroxy-3-Methyl-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.20260227 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS19181-69-2
- Purity/Analytical Methods: >99.0%
19181-69-2 / 6-hydroxy-3-methylquinazolin-4-one
Basic Information
CAS
19181-69-2
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
CN1C=NC2=C(C1=O)C=C(C=C2)O
InChI
InChI=1S/C9H8N2O2/c1-11-5-10-8-3-2-6(12)4-7(8)9(11)13/h2-5,12H,1H3
InChIKey
IAARRMOBNGVINM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.65
TPSA
55.12
LogP / Solubility
WLOGP
0.64
MLOGP
0.56
XLogP3
0.3
Consensus LogP
0.5
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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