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CAS 94789-37-4 2-Pyrimidinecarbonitrile, 4-methoxy- (6CI,9CI) molecular structure lightbox
CAS RN: 94789-37-4

2-Pyrimidinecarbonitrile, 4-methoxy- (6CI,9CI)

  • Product code: SSC-209989
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 94789-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry

94789-37-4 / 4-methoxypyrimidine-2-carbonitrile

Standard CAS: 94789-37-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94789-37-4
Multi CAS
No
Molecular Formula
C6H5N3O
Molecular Weight
135.120000
Exact Mass
135.043262
InChI
InChI=1S/C6H5N3O/c1-10-6-2-3-8-5(4-7)9-6/h2-3H,1H3
InChIKey
POLUXOCVEJOPOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
33.3
TPSA
58.8

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
0.6
Consensus LogP
0.42
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.29

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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