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CAS 58644-56-7 4-(ISOCYANOMETHYL)PYRIDINE molecular structure lightbox
CAS RN: 58644-56-7

4-(ISOCYANOMETHYL)PYRIDINE

  • Product code: SSC-166971
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 58644-56-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

58644-56-7 / 4-(isocyanomethyl)pyridine

Standard CAS: 58644-56-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58644-56-7
Multi CAS
Yes
Molecular Formula
C7H6N2
Molecular Weight
118.140000
Exact Mass
118.053098
InChI
InChI=1S/C7H6N2/c1-8-6-7-2-4-9-5-3-7/h2-5H,6H2
InChIKey
MCYOVNZPMYQFTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
34.54
TPSA
17.25

LogP / Solubility

WLOGP
1.5
MLOGP
1.31
XLogP3
0.6
Consensus LogP
1.14
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
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)
-2.38

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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