[email protected]
CAS 22821-75-6 4,6-DIMETHOXY-2-PIPERIDIN-4-YLPYRIMIDINE molecular structure lightbox
CAS RN: 22821-75-6

4,6-DIMETHOXY-2-PIPERIDIN-4-YLPYRIMIDINE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260609 1g In stock Inquiry
Batchno.20250321 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250318 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-111079
GET A QUOTE
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, 5g, 10g, 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 22821-75-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 5 In Stock Beijing Inquiry
0.25g ＞97% 5 In Stock Shanghai Inquiry
1g ＞97% 5 In Stock Hong Kong Inquiry
5g ＞97% 5 In Stock Shenzhen Inquiry
10g ＞97% 4 In Stock Shanghai Inquiry
25g ＞97% 2 In Stock Shanghai Inquiry

22821-75-6 / 3-methylsulfonylbenzonitrile

Standard CAS: 22821-75-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22821-75-6
Multi CAS
No
Molecular Formula
C8H7NO2S
Molecular Weight
181.210000
Exact Mass
181.019750
SMILES
CS(=O)(=O)C1=CC=CC(=C1)C#N
InChI
InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,1H3
InChIKey
VWPJXEYDYJQMBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.27
TPSA
57.93

LogP / Solubility

WLOGP
0.96
MLOGP
0.84
XLogP3
1
Consensus LogP
0.93
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us