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CAS 87597-21-5 6,8-Dibromo-imidazo[1,2-a]pyrazine-2-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 87597-21-5

6,8-Dibromo-imidazo[1,2-a]pyrazine-2-carboxylic acid ethyl ester

  • Product code: SSC-197732
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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 87597-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

87597-21-5 / ethyl 6,8-dibromoimidazo[1,2-a]pyrazine-2-carboxylate

Standard CAS: 87597-21-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87597-21-5
Multi CAS
No
Molecular Formula
C9H7BR2N3O2
Molecular Weight
348.980000
Exact Mass
348.888450
InChI
InChI=1S/C9H7Br2N3O2/c1-2-16-9(15)5-3-14-4-6(10)13-7(11)8(14)12-5/h3-4H,2H2,1H3
InChIKey
ONYDCYFHPPFRGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
64.34
TPSA
56.49

LogP / Solubility

WLOGP
2.43
MLOGP
2.16
XLogP3
3.3
Consensus LogP
2.63
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12

Drug-likeness / Medicinal Chemistry

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

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