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CAS 193001-56-8 7-Hydroxy-6-methoxy-4-phenoxyquinazoline molecular structure lightbox
CAS RN: 193001-56-8

7-Hydroxy-6-methoxy-4-phenoxyquinazoline

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1 package records0 with current stock1 grade group
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Batchno.20260605 500mg Out of stock 15 business days Inquiry
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193001-56-8 / 6-methoxy-4-phenoxyquinazolin-7-ol

7-hydroxy-6-methoxy-4-phenoxyquinazoline | SCHEMBL4025375 | GWSZZANIALCAJM-UHFFFAOYSA-N

Standard CAS: 193001-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193001-56-8
Multi CAS
No
Molecular Formula
C15H12N2O3
Molecular Weight
268.270000
Exact Mass
268.084792
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=CC=C3)O
InChI
InChI=1S/C15H12N2O3/c1-19-14-7-11-12(8-13(14)18)16-9-17-15(11)20-10-5-3-2-4-6-10/h2-9,18H,1H3
InChIKey
GWSZZANIALCAJM-UHFFFAOYSA-N
Synonyms
7-hydroxy-6-methoxy-4-phenoxyquinazoline SCHEMBL4025375 GWSZZANIALCAJM-UHFFFAOYSA-N DB-296778

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.27
TPSA
64.47

LogP / Solubility

WLOGP
3.14
MLOGP
2.77
XLogP3
3
Consensus LogP
2.97
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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