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CAS 1697446-45-9 Quinazoline, 6-bromo-4-chloro-2-cyclopropyl- molecular structure lightbox
CAS RN: 1697446-45-9

Quinazoline, 6-bromo-4-chloro-2-cyclopropyl-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250720 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1697446-45-9
  • Purity/Analytical Methods: >99.0%
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1697446-45-9 / 6-bromo-4-chloro-2-cyclopropylquinazoline

Standard CAS: 1697446-45-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1697446-45-9
Multi CAS
No
Molecular Formula
C11H8BrClN2
Molecular Weight
283.550000
Exact Mass
281.955940
SMILES
C1CC1C2=NC3=C(C=C(C=C3)Br)C(=N2)Cl
InChI
InChI=1S/C11H8BrClN2/c12-7-3-4-9-8(5-7)10(13)15-11(14-9)6-1-2-6/h3-6H,1-2H2
InChIKey
GQURDPPMAMKLNU-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
64.22
TPSA
25.78

LogP / Solubility

WLOGP
3.92
MLOGP
3.46
XLogP3
3.8
Consensus LogP
3.73
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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)
-1.66

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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