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CAS 50635-22-8 M-Tolyloxyacetonitrile molecular structure lightbox
CAS RN: 50635-22-8

M-Tolyloxyacetonitrile

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250201 100g In stock Inquiry
Batchno.20250725 1g In stock Inquiry
Batchno.20251009 25g In stock Inquiry
Batchno.20260215 5g In stock Inquiry
  • Product code: SSC-157248
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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: 5g, 25g, 1g, 0.1g, 0.25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 50635-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Beijing Inquiry
25g >97% 4 In Stock Hong Kong Inquiry
1g >97% 3 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry

50635-22-8 / 2-(3-methylphenoxy)acetonitrile

Standard CAS: 50635-22-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50635-22-8
Multi CAS
Yes
Molecular Formula
C9H9NO
Molecular Weight
147.170000
Exact Mass
147.068414
InChI
InChI=1S/C9H9NO/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7H,6H2,1H3
InChIKey
RHUCKOJKXSCVOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.29
TPSA
33.02

LogP / Solubility

WLOGP
1.9
MLOGP
1.66
XLogP3
2.4
Consensus LogP
1.99
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately 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)
-2.27

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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