CAS RN: 1173284-43-9
5,6,7 – TRIMETHOXY – QUINAZOLIN – 4(3H) – ONE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1173284-43-9
- Purity/Analytical Methods: >99.0%
1173284-43-9 / 5,6,7-trimethoxy-3H-quinazolin-4-one
5,6,7-TRIMETHOXYQUINAZOLIN-4(3H)-ONE | 5,6,7-trimethoxyquinazolin-4-ol | 5,6,7-trimethoxy-3H-quinazolin-4-one
Basic Information
CAS
1173284-43-9
Multi CAS
No
Molecular Formula
C11H12N2O4
Molecular Weight
236.220000
Exact Mass
236.079707
SMILES
COC1=C(C(=C2C(=C1)N=CNC2=O)OC)OC
InChI
InChI=1S/C11H12N2O4/c1-15-7-4-6-8(11(14)13-5-12-6)10(17-3)9(7)16-2/h4-5H,1-3H3,(H,12,13,14)
InChIKey
JLFAHVDBMXMNLK-UHFFFAOYSA-N
Synonyms
5,6,7-TRIMETHOXYQUINAZOLIN-4(3H)-ONE
5,6,7-trimethoxyquinazolin-4-ol
5,6,7-trimethoxy-3H-quinazolin-4-one
5,6,7-trimethoxy-3,4-dihydroquinazolin-4-one
5,6,7-trimethoxy-1H-quinazolin-4-one
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.02
TPSA
73.44
LogP / Solubility
WLOGP
0.95
MLOGP
0.84
XLogP3
0.6
Consensus LogP
0.8
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately 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)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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