[email protected]
CAS 885229-36-7 1-(5-Methoxy-2-pyrimidinyl)ethanone molecular structure lightbox
CAS RN: 885229-36-7

1-(5-Methoxy-2-pyrimidinyl)ethanone

  • Product code: SSC-199264
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, 0.1g, 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • 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 885229-36-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 3 In Stock Shenzhen Inquiry
1g ≥97% 3 In Stock Shanghai Inquiry
0.1g ≥97% 1 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
0.1g -- 0 Out of Stock Shenzhen Inquiry
0.25g -- 0 Out of Stock Beijing Inquiry

885229-36-7 / 1-(5-methoxypyrimidin-2-yl)ethanone

Standard CAS: 885229-36-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885229-36-7
Multi CAS
No
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
InChI
InChI=1S/C7H8N2O2/c1-5(10)7-8-3-6(11-2)4-9-7/h3-4H,1-2H3
InChIKey
QQDLTPZBHRJRMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
38.59
TPSA
52.08

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.2
Consensus LogP
0.5
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.16

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