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CAS 29113-33-5 Ethyl 4-Quinazolone-2-carboxylate molecular structure lightbox
CAS RN: 29113-33-5

Ethyl 4-Quinazolone-2-carboxylate

  • Product code: SSC-131340
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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 29113-33-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

29113-33-5 / ethyl 4-oxo-4aH-quinazoline-2-carboxylate

Standard CAS: 29113-33-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29113-33-5
Multi CAS
Yes
Molecular Formula
C11H10N2O3
Molecular Weight
218.210000
Exact Mass
218.069142
InChI
InChI=1S/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-7H,2H2,1H3
InChIKey
BZPOORPENWNIER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.28
TPSA
68.09

LogP / Solubility

WLOGP
0.67
MLOGP
0.59
XLogP3
1.4
Consensus LogP
0.89
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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