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CAS 182691-67-4 Furo[3,2-b]pyridine-5-carbonitrile(9CI) molecular structure lightbox
CAS RN: 182691-67-4

Furo[3,2-b]pyridine-5-carbonitrile(9CI)

  • Product code: SSC-084578
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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
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 182691-67-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

182691-67-4 / furo[3,2-b]pyridine-5-carbonitrile

Standard CAS: 182691-67-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182691-67-4
Multi CAS
No
Molecular Formula
C8H4N2O
Molecular Weight
144.130000
Exact Mass
144.032363
SMILES
C1=CC2=C(C=CO2)N=C1C#N
InChI
InChI=1S/C8H4N2O/c9-5-6-1-2-8-7(10-6)3-4-11-8/h1-4H
InChIKey
DDIPUICPRRNHHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
38.72
TPSA
49.82

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.4
Consensus LogP
1.53
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

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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