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CAS 50635-21-7 2-(2-Methylphenoxy)acetonitrile molecular structure lightbox
CAS RN: 50635-21-7

2-(2-Methylphenoxy)acetonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260317 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-157247
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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, 10g, 100g
  • Available purity: >97%
  • 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 50635-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

50635-21-7 / 2-(2-methylphenoxy)acetonitrile

Standard CAS: 50635-21-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50635-21-7
Multi CAS
No
Molecular Formula
C9H9NO
Molecular Weight
147.170000
Exact Mass
147.068414
InChI
InChI=1S/C9H9NO/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5H,7H2,1H3
InChIKey
PLUADOZOKWWDIF-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
2.2
Consensus LogP
1.92
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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