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CAS 59490-94-7 4-CHLORO-2-(4-CHLORO-PHENYL)-QUINAZOLINE molecular structure lightbox
CAS RN: 59490-94-7

4-CHLORO-2-(4-CHLORO-PHENYL)-QUINAZOLINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 1g / 5g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS59490-94-7
  • Purity/Analytical Methods: >99.0%
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59490-94-7 / 4-chloro-2-(4-chlorophenyl)quinazoline

Standard CAS: 59490-94-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59490-94-7
Multi CAS
No
Molecular Formula
C14H8CL2N2
Molecular Weight
275.100000
Exact Mass
274.006454
InChI
InChI=1S/C14H8Cl2N2/c15-10-7-5-9(6-8-10)14-17-12-4-2-1-3-11(12)13(16)18-14/h1-8H
InChIKey
HRDLKQWYHGPZOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
74.99
TPSA
25.78

LogP / Solubility

WLOGP
4.6
MLOGP
4.06
XLogP3
5.1
Consensus LogP
4.59
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13

Drug-likeness / Medicinal Chemistry

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

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