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CAS 1566729-83-6 4,8-Dichloro-6-fluoroquinazoline molecular structure lightbox
CAS RN: 1566729-83-6

4,8-Dichloro-6-fluoroquinazoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1566729-83-6
  • Purity/Analytical Methods: >99.0%
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1566729-83-6 / 4,8-dichloro-6-fluoroquinazoline

Standard CAS: 1566729-83-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1566729-83-6
Multi CAS
No
Molecular Formula
C8H3Cl2FN2
Molecular Weight
217.020000
Exact Mass
215.965732
SMILES
C1=C(C=C(C2=C1C(=NC=N2)Cl)Cl)F
InChI
InChI=1S/C8H3Cl2FN2/c9-6-2-4(11)1-5-7(6)12-3-13-8(5)10/h1-3H
InChIKey
DMTPQQJHSOOXJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
49.52
TPSA
25.78

LogP / Solubility

WLOGP
3.08
MLOGP
2.71
XLogP3
3.2
Consensus LogP
3
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

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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