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CAS 885277-54-3 5-METHOXY-QUINAZOLIN-4-YLAMINE molecular structure lightbox
CAS RN: 885277-54-3

5-METHOXY-QUINAZOLIN-4-YLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251216 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS885277-54-3
  • Purity/Analytical Methods: >99.0%
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885277-54-3 / 6-methoxyquinazolin-4-amine

Standard CAS: 885277-54-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885277-54-3
Multi CAS
Yes
Molecular Formula
C9H9N3O
Molecular Weight
175.190000
Exact Mass
175.074562
InChI
InChI=1S/C9H9N3O/c1-13-7-4-2-3-6-8(7)9(10)12-5-11-6/h2-5H,1H3,(H2,10,11,12)
InChIKey
SHAGSAZEDSAORZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.5
TPSA
61.03

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.3
Consensus LogP
1.2
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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