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CAS 72716-87-1 2-METHOXYPYRIDINE-4-CARBOXALDEHYDE molecular structure lightbox
CAS RN: 72716-87-1

2-METHOXYPYRIDINE-4-CARBOXALDEHYDE

  • Product code: SSC-182201
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 72716-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 5 In Stock Shanghai Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Beijing Inquiry
25g >98% 5 In Stock Shenzhen Inquiry
100g >98% 3 In Stock Shanghai Inquiry

72716-87-1 / 2-methoxypyridine-4-carbaldehyde

Standard CAS: 72716-87-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72716-87-1
Multi CAS
Yes
Molecular Formula
C7H7NO2
Molecular Weight
137.140000
Exact Mass
137.047678
InChI
InChI=1S/C7H7NO2/c1-10-7-4-6(5-9)2-3-8-7/h2-5H,1H3
InChIKey
VOCKNCWQVHJMAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
36.18
TPSA
39.19

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.34
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)
-2.92

Drug-likeness / Medicinal Chemistry

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

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