[email protected]
CAS 53342-27-1 Ethanone,1-(2-pyrimidinyl)- molecular structure lightbox
CAS RN: 53342-27-1

Ethanone,1-(2-pyrimidinyl)-

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251004 1g In stock Shanghai, Shandong Inquiry
Batchno.20250326 25g Out of stock 8-10 business days Inquiry
Batchno.20260115 5g In stock Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250503 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-160646
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: 1g, 5g, 10g, 0.25g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 53342-27-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 4 In Stock Shanghai Inquiry
10g >95% 3 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
25g >95% 1 In Stock Beijing Inquiry
100g >95% 0 Out of Stock Shenzhen Inquiry

53342-27-1 / 1-pyrimidin-2-ylethanone

Standard CAS: 53342-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53342-27-1
Multi CAS
No
Molecular Formula
C6H6N2O
Molecular Weight
122.120000
Exact Mass
122.048013
InChI
InChI=1S/C6H6N2O/c1-5(9)6-7-3-2-4-8-6/h2-4H,1H3
InChIKey
SPZUXKZZYDALEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.04
TPSA
42.85

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
0.2
Consensus LogP
0.49
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-2.98

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