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CAS 379230-38-3 7-Fluoro-N-(5-chloro-1,3-benzodioxol-4-yl)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine molecular structure lightbox
CAS RN: 379230-38-3

7-Fluoro-N-(5-chloro-1,3-benzodioxol-4-yl)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS379230-38-3
  • Purity/Analytical Methods: >99.0%
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379230-38-3 / N-(5-chloro-1,3-benzodioxol-4-yl)-7-fluoro-5-(oxan-4-yloxy)quinazolin-4-amine

Standard CAS: 379230-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
379230-38-3
Multi CAS
No
Molecular Formula
C20H17CLFN3O4
Molecular Weight
417.800000
Exact Mass
417.089162
InChI
InChI=1S/C20H17ClFN3O4/c21-13-1-2-15-19(28-10-27-15)18(13)25-20-17-14(23-9-24-20)7-11(22)8-16(17)29-12-3-5-26-6-4-12/h1-2,7-9,12H,3-6,10H2,(H,23,24,25)
InChIKey
PVOAJSAAENFMPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
104.82
TPSA
74.73

LogP / Solubility

WLOGP
4.45
MLOGP
3.94
XLogP3
4.3
Consensus LogP
4.23
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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