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CAS 1262866-93-2 4-(biphenyl-4-yl)-2-chloroquinazoline molecular structure lightbox
CAS RN: 1262866-93-2

4-(biphenyl-4-yl)-2-chloroquinazoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251005 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1262866-93-2
  • Purity/Analytical Methods: >99.0%
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1262866-93-2 / 2-chloro-4-(4-phenylphenyl)quinazoline

Standard CAS: 1262866-93-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262866-93-2
Multi CAS
No
Molecular Formula
C20H13ClN2
Molecular Weight
316.800000
Exact Mass
316.076726
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)Cl
InChI
InChI=1S/C20H13ClN2/c21-20-22-18-9-5-4-8-17(18)19(23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKey
VSMPNDGQPFFGPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
95.42
TPSA
25.78

LogP / Solubility

WLOGP
5.62
MLOGP
4.96
XLogP3
5.9
Consensus LogP
5.49
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.66

Drug-likeness / Medicinal Chemistry

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

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