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CAS 79916-53-3 4-(4-CHLOROQUINAZOLIN-2-YL)-N,N-DIMETHYLANILINE molecular structure lightbox
CAS RN: 79916-53-3

4-(4-CHLOROQUINAZOLIN-2-YL)-N,N-DIMETHYLANILINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251216 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-188919
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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: ≥95%
  • 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 79916-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

79916-53-3 / 4-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline

Standard CAS: 79916-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79916-53-3
Multi CAS
No
Molecular Formula
C16H14CLN3
Molecular Weight
283.750000
Exact Mass
283.087625
InChI
InChI=1S/C16H14ClN3/c1-20(2)12-9-7-11(8-10-12)16-18-14-6-4-3-5-13(14)15(17)19-16/h3-10H,1-2H3
InChIKey
ZUWQMICNQFRGOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
84.31
TPSA
29.02

LogP / Solubility

WLOGP
4.02
MLOGP
3.54
XLogP3
4.6
Consensus LogP
4.05
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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