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CAS 116605-69-7 3-b]pyrazine molecular structure lightbox
CAS RN: 116605-69-7

3-b]pyrazine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250604 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-016557
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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: ＞97%
  • 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 116605-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

116605-69-7 / 7-bromo-8-methylpyrido[2,3-b]pyrazine

7-bromo-8-methylpyrido[2,3-b]pyrazine | 3-b]pyrazine | MFCD09881188

Standard CAS: 116605-69-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116605-69-7
Multi CAS
No
Molecular Formula
C8H6BrN3
Molecular Weight
224.060000
Exact Mass
222.974510
SMILES
CC1=C(C=NC2=NC=CN=C12)Br
InChI
InChI=1S/C8H6BrN3/c1-5-6(9)4-12-8-7(5)10-2-3-11-8/h2-4H,1H3
InChIKey
BHHMPZQRVWVAAR-UHFFFAOYSA-N
Synonyms
7-bromo-8-methylpyrido[2,3-b]pyrazine 3-b]pyrazine MFCD09881188 Pyrido[2,3-b]pyrazine, 7-bromo-8-methyl- 7-Bromo-8-methyl-1,4,5-triazanaphthalene

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.12
H-bond acceptors
3
Molar refractivity
49.77
TPSA
38.67

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.5
Consensus LogP
1.82
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

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

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