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CAS 1260833-40-6 5-bromo-2-(cyclobutyloxy)Pyrimidine molecular structure lightbox
CAS RN: 1260833-40-6

5-bromo-2-(cyclobutyloxy)Pyrimidine

  • Product code: SSC-032190
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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: ≥95%
  • 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 1260833-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry

1260833-40-6 / 5-bromo-2-cyclobutyloxypyrimidine

Standard CAS: 1260833-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260833-40-6
Multi CAS
No
Molecular Formula
C8H9BrN2O
Molecular Weight
229.070000
Exact Mass
227.989830
SMILES
C1CC(C1)OC2=NC=C(C=N2)Br
InChI
InChI=1S/C8H9BrN2O/c9-6-4-10-8(11-5-6)12-7-2-1-3-7/h4-5,7H,1-3H2
InChIKey
APSFUHNWFXKNDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48
TPSA
35.01

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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