CAS RN: 905306-05-0
4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-ol
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.20250313 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS905306-05-0
- Purity/Analytical Methods: >99.0%
905306-05-0 / 4-(3-ethynylanilino)-7-methoxyquinazolin-6-ol
Basic Information
CAS
905306-05-0
Multi CAS
No
Molecular Formula
C17H13N3O2
Molecular Weight
291.300000
Exact Mass
291.100777
InChI
InChI=1S/C17H13N3O2/c1-3-11-5-4-6-12(7-11)20-17-13-8-15(21)16(22-2)9-14(13)18-10-19-17/h1,4-10,21H,2H3,(H,18,19,20)
InChIKey
ADVNQWPCPQAQOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
85.41
TPSA
67.27
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
3.3
Consensus LogP
3.03
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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