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CAS 67602-05-5 2-AMINO-3-BROMO-5-PHENYLPYRAZINE molecular structure lightbox
CAS RN: 67602-05-5

2-AMINO-3-BROMO-5-PHENYLPYRAZINE

  • Product code: SSC-177301
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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 67602-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

67602-05-5 / 3-bromo-5-phenylpyrazin-2-amine

Standard CAS: 67602-05-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67602-05-5
Multi CAS
No
Molecular Formula
BC10H8Rn3
Molecular Weight
250.090000
Exact Mass
248.990160
InChI
InChI=1S/C10H8BrN3/c11-9-10(12)13-6-8(14-9)7-4-2-1-3-5-7/h1-6H,(H2,12,13)
InChIKey
SMLJERTWGUYNSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.58
TPSA
51.8

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
2.1
Consensus LogP
2.26
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

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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