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CAS 39642-87-0 1,3-dipyridin-4-ylurea molecular structure lightbox
CAS RN: 39642-87-0

1,3-dipyridin-4-ylurea

  • Product code: SSC-147354
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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: ≥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 39642-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

39642-87-0 / 1,3-dipyridin-4-ylurea

Standard CAS: 39642-87-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39642-87-0
Multi CAS
No
Molecular Formula
C11H10N4O
Molecular Weight
214.220000
Exact Mass
214.085461
InChI
InChI=1S/C11H10N4O/c16-11(14-9-1-5-12-6-2-9)15-10-3-7-13-8-4-10/h1-8H,(H2,12,13,14,15,16)
InChIKey
QRRGJASIECDXQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.12
TPSA
66.91

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
0.3
Consensus LogP
1.43
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52

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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