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CAS 49669-27-4 6,6′-DIACETYL-2,2′-BIPYRIDINE molecular structure lightbox
CAS RN: 49669-27-4

6,6′-DIACETYL-2,2′-BIPYRIDINE

  • Product code: SSC-155896
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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 49669-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

49669-27-4 / 1-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]ethanone

Standard CAS: 49669-27-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
49669-27-4
Multi CAS
No
Molecular Formula
C14H12N2O2
Molecular Weight
240.260000
Exact Mass
240.089878
InChI
InChI=1S/C14H12N2O2/c1-9(17)11-5-3-7-13(15-11)14-8-4-6-12(16-14)10(2)18/h3-8H,1-2H3
InChIKey
KYXBCPWHTPLSPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
67.48
TPSA
59.92

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
1.5
Consensus LogP
2.1
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-2.38

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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