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CAS 190274-25-0 2-Quinazolinamine,8-fluoro-(9CI) molecular structure lightbox
CAS RN: 190274-25-0

2-Quinazolinamine,8-fluoro-(9CI)

  • Product code: SSC-089071
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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: 1g
  • 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 190274-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

190274-25-0 / 8-fluoroquinazolin-2-amine

Standard CAS: 190274-25-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190274-25-0
Multi CAS
No
Molecular Formula
C8H6FN3
Molecular Weight
163.150000
Exact Mass
163.054575
SMILES
C1=CC2=CN=C(N=C2C(=C1)F)N
InChI
InChI=1S/C8H6FN3/c9-6-3-1-2-5-4-11-8(10)12-7(5)6/h1-4H,(H2,10,11,12)
InChIKey
QGYGXLMLUIGXGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.91
TPSA
51.8

LogP / Solubility

WLOGP
1.35
MLOGP
1.18
XLogP3
1.3
Consensus LogP
1.28
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.76

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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