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CAS 937668-63-8 2-Amino-5-bromoquinazolin-4-ol molecular structure lightbox
CAS RN: 937668-63-8

2-Amino-5-bromoquinazolin-4-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250531 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS937668-63-8
  • Purity/Analytical Methods: >99.0%
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937668-63-8 / 2-amino-5-bromo-3H-quinazolin-4-one

Standard CAS: 937668-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
937668-63-8
Multi CAS
No
Molecular Formula
BC8H6ORn3
Molecular Weight
240.060000
Exact Mass
238.969420
InChI
InChI=1S/C8H6BrN3O/c9-4-2-1-3-5-6(4)7(13)12-8(10)11-5/h1-3H,(H3,10,11,12,13)
InChIKey
WABUXSHYCDPHKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.48
TPSA
71.77

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
0.8
Consensus LogP
1.06
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

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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