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CAS 87039-49-4 6-Methoxy-5-quinazolinamine molecular structure lightbox
CAS RN: 87039-49-4

6-Methoxy-5-quinazolinamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS87039-49-4
  • Purity/Analytical Methods: >99.0%
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87039-49-4 / 6-methoxyquinazolin-5-amine

Standard CAS: 87039-49-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87039-49-4
Multi CAS
No
Molecular Formula
C9H9N3O
Molecular Weight
175.190000
Exact Mass
175.074562
InChI
InChI=1S/C9H9N3O/c1-13-8-3-2-7-6(9(8)10)4-11-5-12-7/h2-5H,10H2,1H3
InChIKey
UXCZUTJBZWURPR-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
0.8
Consensus LogP
1.03
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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