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CAS 22782-40-7 2-Amino-5-formylbenzonitrile molecular structure lightbox
CAS RN: 22782-40-7

2-Amino-5-formylbenzonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-110947
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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: 3
  • 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 22782-40-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Hong Kong Inquiry

22782-40-7 / 2-amino-5-formylbenzonitrile

Standard CAS: 22782-40-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22782-40-7
Multi CAS
No
Molecular Formula
C8H6N2O
Molecular Weight
146.150000
Exact Mass
146.048013
SMILES
C1=CC(=C(C=C1C=O)C#N)N
InChI
InChI=1S/C8H6N2O/c9-4-7-3-6(5-11)1-2-8(7)10/h1-3,5H,10H2
InChIKey
XAAOIISWHPZUEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.96
TPSA
66.88

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
1
Consensus LogP
0.93
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-2.93

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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