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CAS 116529-78-3 2-Phenyl-8-aMinoquinoline molecular structure lightbox
CAS RN: 116529-78-3

2-Phenyl-8-aMinoquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-016511
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 116529-78-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

116529-78-3 / 2-phenylquinolin-8-amine

2-Phenylquinolin-8-amine | DTXSID70601447 | RefChem:265404

Standard CAS: 116529-78-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116529-78-3
Multi CAS
No
Molecular Formula
C15H12N2
Molecular Weight
220.270000
Exact Mass
220.100048
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC=C3N)C=C2
InChI
InChI=1S/C15H12N2/c16-13-8-4-7-12-9-10-14(17-15(12)13)11-5-2-1-3-6-11/h1-10H,16H2
InChIKey
LOXNFXNXRRMUFJ-UHFFFAOYSA-N
Synonyms
2-Phenylquinolin-8-amine DTXSID70601447 RefChem:265404 DTXCID30552204 8-Quinolinamine, 2-phenyl-

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.59
TPSA
38.91

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
3.2
Consensus LogP
3.25
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-1.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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