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CAS 18731-19-6 2,6-dimethylquinazolin-4(3h)-one molecular structure lightbox
CAS RN: 18731-19-6

2,6-dimethylquinazolin-4(3h)-one

  • Product code: SSC-087069
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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: ＞97%
  • 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 18731-19-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

18731-19-6 / 2,6-dimethyl-3H-quinazolin-4-one

Standard CAS: 18731-19-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18731-19-6
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
CC1=CC2=C(C=C1)N=C(NC2=O)C
InChI
InChI=1S/C10H10N2O/c1-6-3-4-9-8(5-6)10(13)12-7(2)11-9/h3-5H,1-2H3,(H,11,12,13)
InChIKey
ZCWWTKGVCYRGQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.84
TPSA
45.75

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
1.1
Consensus LogP
1.33
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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