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CAS 86328-33-8 2-(2-Benzoxazolylamino)-6-methylpyrimidin-4(3H)-one molecular structure lightbox
CAS RN: 86328-33-8

2-(2-Benzoxazolylamino)-6-methylpyrimidin-4(3H)-one

  • Product code: SSC-195276
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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: ≥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 86328-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

86328-33-8 / 2-(1,3-benzoxazol-2-ylamino)-4-methyl-1H-pyrimidin-6-one

Standard CAS: 86328-33-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86328-33-8
Multi CAS
Yes
Molecular Formula
C12H10N4O2
Molecular Weight
242.230000
Exact Mass
242.080376
InChI
InChI=1S/C12H10N4O2/c1-7-6-10(17)15-11(13-7)16-12-14-8-4-2-3-5-9(8)18-12/h2-6H,1H3,(H2,13,14,15,16,17)
InChIKey
BADDFHACWSMNTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
66.89
TPSA
83.81

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.2
Consensus LogP
1.63
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

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

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