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CAS 35982-55-9 6-Chloro-2-(trifluoroMethyl)quinazolin-4(3H)-one molecular structure lightbox
CAS RN: 35982-55-9

6-Chloro-2-(trifluoroMethyl)quinazolin-4(3H)-one

  • Product code: SSC-143069
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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 35982-55-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

35982-55-9 / 6-chloro-2-(trifluoromethyl)-6H-quinazolin-4-one

Standard CAS: 35982-55-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35982-55-9
Multi CAS
Yes
Molecular Formula
C9H4CLF3N2O
Molecular Weight
248.590000
Exact Mass
247.996425
InChI
InChI=1S/C9H4ClF3N2O/c10-4-1-2-6-5(3-4)7(16)15-8(14-6)9(11,12)13/h1-3H,(H,14,15,16)
InChIKey
LDMYDHZFIHOKCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
52.8
TPSA
41.79

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-2.79

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
2

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