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CAS 1413365-66-8 4-[1,1-Bipheny]-3-yl-2-chloroquinazoline molecular structure lightbox
CAS RN: 1413365-66-8

4-[1,1-Bipheny]-3-yl-2-chloroquinazoline

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260104 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-051688
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1413365-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1413365-66-8 / 2-chloro-4-(3-phenylphenyl)quinazoline

Standard CAS: 1413365-66-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1413365-66-8
Multi CAS
No
Molecular Formula
C20H13ClN2
Molecular Weight
316.800000
Exact Mass
316.076726
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC4=CC=CC=C43)Cl
InChI
InChI=1S/C20H13ClN2/c21-20-22-18-12-5-4-11-17(18)19(23-20)16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H
InChIKey
VWNYQJPJWQSBSL-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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