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CAS 101421-73-2 7-Quinazolinamine (9CI) molecular structure lightbox
CAS RN: 101421-73-2

7-Quinazolinamine (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250602 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS101421-73-2
  • Purity/Analytical Methods: >99.0%
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101421-73-2 / quinazolin-7-amine

Quinazolin-7-amine | 7-Quinazolinamine (9CI) | MFCD10697884

Standard CAS: 101421-73-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101421-73-2
Multi CAS
No
Molecular Formula
C8H7N3
Molecular Weight
145.160000
Exact Mass
145.063997
SMILES
C1=CC2=CN=CN=C2C=C1N
InChI
InChI=1S/C8H7N3/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-5H,9H2
InChIKey
JBFKTGKPNDZSPY-UHFFFAOYSA-N
Synonyms
Quinazolin-7-amine 7-Quinazolinamine (9CI) MFCD10697884 Quinazolin-7-ylamine 7-quinazolinamine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.95
TPSA
51.8

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
0.4
Consensus LogP
0.89
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-2.74

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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