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CAS 959007-52-4 6-BROMO-2-METHYLQUINAZOLINE molecular structure lightbox
CAS RN: 959007-52-4

6-BROMO-2-METHYLQUINAZOLINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260522 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS959007-52-4
  • Purity/Analytical Methods: >99.0%
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959007-52-4 / 6-bromo-2-methylquinazoline

Standard CAS: 959007-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
959007-52-4
Multi CAS
No
Molecular Formula
BC9H7Rn2
Molecular Weight
223.070000
Exact Mass
221.979260
InChI
InChI=1S/C9H7BrN2/c1-6-11-5-7-4-8(10)2-3-9(7)12-6/h2-5H,1H3
InChIKey
PVVMJVJYMNEHMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
51.98
TPSA
25.78

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.6
Consensus LogP
2.56
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.16

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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