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CAS 1695621-65-8 4-chloro-2-cyclopropyl-6-fluoroquinazoline molecular structure lightbox
CAS RN: 1695621-65-8

4-chloro-2-cyclopropyl-6-fluoroquinazoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251223 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1695621-65-8
  • Purity/Analytical Methods: >99.0%
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1695621-65-8 / 4-chloro-2-cyclopropyl-6-fluoroquinazoline

Standard CAS: 1695621-65-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1695621-65-8
Multi CAS
No
Molecular Formula
C11H8ClFN2
Molecular Weight
222.640000
Exact Mass
222.036004
SMILES
C1CC1C2=NC3=C(C=C(C=C3)F)C(=N2)Cl
InChI
InChI=1S/C11H8ClFN2/c12-10-8-5-7(13)3-4-9(8)14-11(15-10)6-1-2-6/h3-6H,1-2H2
InChIKey
YEHIILZESIDNIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.48
TPSA
25.78

LogP / Solubility

WLOGP
3.3
MLOGP
2.91
XLogP3
3.2
Consensus LogP
3.14
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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)
-1.74

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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