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CAS 1049001-84-4 8-bromoimidazo[1,2-c]pyrimidine molecular structure lightbox
CAS RN: 1049001-84-4

8-bromoimidazo[1,2-c]pyrimidine

  • Product code: SSC-006639
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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: 0.05g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1049001-84-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry

1049001-84-4 / 8-bromoimidazo[1,2-c]pyrimidine

8-bromoimidazo[1,2-c]pyrimidine | MFCD20527742 | SCHEMBL13229296

Standard CAS: 1049001-84-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1049001-84-4
Multi CAS
No
Molecular Formula
C6H4BrN3
Molecular Weight
198.020000
Exact Mass
196.958860
SMILES
C1=CN2C=NC=C(C2=N1)Br
InChI
InChI=1S/C6H4BrN3/c7-5-3-8-4-10-2-1-9-6(5)10/h1-4H
InChIKey
FUJPXBMPYFYSER-UHFFFAOYSA-N
Synonyms
8-bromoimidazo[1,2-c]pyrimidine MFCD20527742 SCHEMBL13229296 SCHEMBL16566593 SY325529

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
40.69
TPSA
30.19

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.8
Consensus LogP
1.53
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-2.87

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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