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CAS 1676-57-9 5-BROMO-2-METHYL-4(1H)-PYRIMIDINONE molecular structure lightbox
CAS RN: 1676-57-9

5-BROMO-2-METHYL-4(1H)-PYRIMIDINONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260120 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-073103
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 1676-57-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

1676-57-9 / 5-bromo-2-methyl-1H-pyrimidin-6-one

Standard CAS: 1676-57-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1676-57-9
Multi CAS
No
Molecular Formula
C5H5BrN2O
Molecular Weight
189.010000
Exact Mass
187.958530
SMILES
CC1=NC=C(C(=O)N1)Br
InChI
InChI=1S/C5H5BrN2O/c1-3-7-2-4(6)5(9)8-3/h2H,1H3,(H,7,8,9)
InChIKey
WXBZTJGZVILJIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.29
TPSA
45.75

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
0.2
Consensus LogP
0.59
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-3.28

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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