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CAS 1022-44-2 2-PHENYL-QUINAZOLIN-4-YLAMINE molecular structure lightbox
CAS RN: 1022-44-2

2-PHENYL-QUINAZOLIN-4-YLAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251114 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1022-44-2
  • Purity/Analytical Methods: >99.0%
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1022-44-2 / 2-phenylquinazolin-4-amine

2-Phenylquinazoline-4-amine | RefChem:265401 | 2-phenylquinazolin-4-amine

Standard CAS: 1022-44-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1022-44-2
Multi CAS
No
Molecular Formula
C14H11N3
Molecular Weight
221.260000
Exact Mass
221.095297
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N
InChI
InChI=1S/C14H11N3/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9H,(H2,15,16,17)
InChIKey
AEEMTZOWFJHGNW-UHFFFAOYSA-N
Synonyms
2-Phenylquinazoline-4-amine RefChem:265401 2-phenylquinazolin-4-amine 4-Quinazolinamine, 2-phenyl- 2-PHENYL-QUINAZOLIN-4-YLAMINE

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.39
TPSA
51.8

LogP / Solubility

WLOGP
2.88
MLOGP
2.54
XLogP3
3.2
Consensus LogP
2.87
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

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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