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CAS 90537-62-5 3-AMINO-7-CHLORO-2-METHYLQUINAZOLIN-4(3H)-ONE molecular structure lightbox
CAS RN: 90537-62-5

3-AMINO-7-CHLORO-2-METHYLQUINAZOLIN-4(3H)-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250804 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS90537-62-5
  • Purity/Analytical Methods: >99.0%
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90537-62-5 / 3-amino-7-chloro-2-methylquinazolin-4-one

Standard CAS: 90537-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90537-62-5
Multi CAS
No
Molecular Formula
C9H8CLN3O
Molecular Weight
209.630000
Exact Mass
209.035590
InChI
InChI=1S/C9H8ClN3O/c1-5-12-8-4-6(10)2-3-7(8)9(14)13(5)11/h2-4H,11H2,1H3
InChIKey
GINCQOASZXXVEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.9
TPSA
60.91

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
0.8
Consensus LogP
0.94
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-3.24

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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