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CAS 24437-41-0 N-METHYLPYRROLE-2-ACETONITRILE molecular structure lightbox
CAS RN: 24437-41-0

N-METHYLPYRROLE-2-ACETONITRILE

  • Product code: SSC-118893
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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 24437-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

24437-41-0 / 2-(1-methylpyrrol-2-yl)acetonitrile

Standard CAS: 24437-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24437-41-0
Multi CAS
No
Molecular Formula
C7H8N2
Molecular Weight
120.150000
Exact Mass
120.068748
SMILES
CN1C=CC=C1CC#N
InChI
InChI=1S/C7H8N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4H2,1H3
InChIKey
ROSYAUHHRKAPHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.73
TPSA
28.72

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
0.4
Consensus LogP
0.81
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-2.68

Drug-likeness / Medicinal Chemistry

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

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