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CAS 23842-82-2 2-Amino-5-methoxybenzonitrile molecular structure lightbox
CAS RN: 23842-82-2

2-Amino-5-methoxybenzonitrile

  • Product code: SSC-116263
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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: 1g, 0.25g, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 23842-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shenzhen Inquiry
0.25g ≥98% 2 In Stock Beijing Inquiry
5g ≥98% 1 In Stock Hong Kong Inquiry
10g ≥98% 1 In Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

23842-82-2 / 2-amino-5-methoxybenzonitrile

Standard CAS: 23842-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23842-82-2
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
COC1=CC(=C(C=C1)N)C#N
InChI
InChI=1S/C8H8N2O/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,10H2,1H3
InChIKey
SRWMPAZUWXLIPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.12
TPSA
59.04

LogP / Solubility

WLOGP
1.15
MLOGP
1
XLogP3
1.5
Consensus LogP
1.22
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-2.81

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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