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CAS 887973-87-7 5-(2,6-DiMethoxyphenyl)-3-pyridinecarbaldehyde molecular structure lightbox
CAS RN: 887973-87-7

5-(2,6-DiMethoxyphenyl)-3-pyridinecarbaldehyde

  • Product code: SSC-200485
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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, 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 887973-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

887973-87-7 / 5-(2,6-dimethoxyphenyl)pyridine-3-carbaldehyde

Standard CAS: 887973-87-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887973-87-7
Multi CAS
No
Molecular Formula
C14H13NO3
Molecular Weight
243.260000
Exact Mass
243.089543
InChI
InChI=1S/C14H13NO3/c1-17-12-4-3-5-13(18-2)14(12)11-6-10(9-16)7-15-8-11/h3-9H,1-2H3
InChIKey
VTAFCYAGJSSJOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
68.16
TPSA
48.42

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
1.9
Consensus LogP
2.25
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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