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CAS 1000018-56-3 6-Bromoimidazo[1,2-a]pyrazine-2-carboxylic acid molecular structure lightbox
CAS RN: 1000018-56-3

6-Bromoimidazo[1,2-a]pyrazine-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-000048
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1000018-56-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1000018-56-3 / 6-bromoimidazo[1,2-a]pyrazine-2-carboxylic acid

6-Bromoimidazo[1,2-a]pyrazine-2-carboxylic acid | 1000018-56-3 | DTXSID40651757

Standard CAS: 1000018-56-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1000018-56-3
Multi CAS
No
Molecular Formula
C7H4BrN3O2
Molecular Weight
242.030000
Exact Mass
240.948690
SMILES
C1=C(N=C2N1C=C(N=C2)Br)C(=O)O
InChI
InChI=1S/C7H4BrN3O2/c8-5-3-11-2-4(7(12)13)10-6(11)1-9-5/h1-3H,(H,12,13)
InChIKey
KEMAWFHELKESRS-UHFFFAOYSA-N
Synonyms
6-Bromoimidazo[1,2-a]pyrazine-2-carboxylic acid 1000018-56-3 DTXSID40651757 6-Bromoimidazo(1,2-a)pyrazine-2-carboxylic acid RefChem:307659

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.65
TPSA
67.49

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.6
Consensus LogP
1.28
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.35

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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