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CAS 381168-77-0 N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine molecular structure lightbox
CAS RN: 381168-77-0

N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260201 5mg / 10mg / 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS381168-77-0
  • Purity/Analytical Methods: >99.0%
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381168-77-0 / N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine

Standard CAS: 381168-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
381168-77-0
Multi CAS
No
Molecular Formula
C19F2H12N4
Molecular Weight
334.300000
Exact Mass
334.103003
InChI
InChI=1S/C19H12F2N4/c20-15-6-5-13(11-16(15)21)23-19-14-3-1-2-4-17(14)24-18(25-19)12-7-9-22-10-8-12/h1-11H,(H,23,24,25)
InChIKey
LBPYNNJXARHGAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
92.41
TPSA
50.7

LogP / Solubility

WLOGP
4.71
MLOGP
4.16
XLogP3
4.2
Consensus LogP
4.36
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
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
No
Log Kp (skin permeation)
-1.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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