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CAS 113242-33-4 4-CHLORO-2-(4-FLUORO-PHENYL)-QUINAZOLINE molecular structure lightbox
CAS RN: 113242-33-4

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250130 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS113242-33-4
  • Purity/Analytical Methods: >99.0%
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113242-33-4 / 4-chloro-2-(4-fluorophenyl)quinazoline

4-chloro-2-(4-fluorophenyl)quinazoline | 4-CHLORO-2-(4-FLUORO-PHENYL)-QUINAZOLINE | MFCD04115224

Standard CAS: 113242-33-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113242-33-4
Multi CAS
No
Molecular Formula
C14H8ClFN2
Molecular Weight
258.680000
Exact Mass
258.036004
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C14H8ClFN2/c15-13-11-3-1-2-4-12(11)17-14(18-13)9-5-7-10(16)8-6-9/h1-8H
InChIKey
CKOPPMRJZDRZBH-UHFFFAOYSA-N
Synonyms
4-chloro-2-(4-fluorophenyl)quinazoline 4-CHLORO-2-(4-FLUORO-PHENYL)-QUINAZOLINE MFCD04115224 F9995-0287 SCHEMBL4840414

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.94
TPSA
25.78

LogP / Solubility

WLOGP
4.09
MLOGP
3.61
XLogP3
4.6
Consensus LogP
4.1
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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)
-1.39

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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