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CAS 39786-36-2 4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-4(3H)-one molecular structure lightbox
CAS RN: 39786-36-2

4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

  • Product code: SSC-147526
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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 39786-36-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

39786-36-2 / 4aH-[1]benzofuro[3,2-d]pyrimidin-4-one

Standard CAS: 39786-36-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39786-36-2
Multi CAS
Yes
Molecular Formula
C10H6N2O2
Molecular Weight
186.170000
Exact Mass
186.042927
InChI
InChI=1S/C10H6N2O2/c13-10-9-8(11-5-12-10)6-3-1-2-4-7(6)14-9/h1-5H,(H,11,12,13)
InChIKey
PCCWPSFTRGJXEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.1
H-bond acceptors
3
Molar refractivity
50.89
TPSA
51.02

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
1.2
Consensus LogP
0.91
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.28

Drug-likeness / Medicinal Chemistry

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

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