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CAS 183054-21-9 3-Amino-6-fluoro-3,4-dihydroquinazolin-2(1H)-one molecular structure lightbox
CAS RN: 183054-21-9

3-Amino-6-fluoro-3,4-dihydroquinazolin-2(1H)-one

  • Product code: SSC-084693
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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 183054-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

183054-21-9 / 3-amino-6-fluoro-1,4-dihydroquinazolin-2-one

Standard CAS: 183054-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183054-21-9
Multi CAS
No
Molecular Formula
C8H8FN3O
Molecular Weight
181.170000
Exact Mass
181.065140
SMILES
C1C2=C(C=CC(=C2)F)NC(=O)N1N
InChI
InChI=1S/C8H8FN3O/c9-6-1-2-7-5(3-6)4-12(10)8(13)11-7/h1-3H,4,10H2,(H,11,13)
InChIKey
NIHAUZZYDFXJHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.15
TPSA
58.36

LogP / Solubility

WLOGP
1.05
MLOGP
0.92
Consensus LogP
0.66
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.08

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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