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CAS 1211581-93-9 7-Bromo-1-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine molecular structure lightbox
CAS RN: 1211581-93-9

7-Bromo-1-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine

  • Product code: SSC-022796
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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 1211581-93-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1211581-93-9 / 7-bromo-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine

7-bromo-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine | MFCD18256861 | 7-Bromo-1-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine

Standard CAS: 1211581-93-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211581-93-9
Multi CAS
No
Molecular Formula
C8H10BrN3
Molecular Weight
228.090000
Exact Mass
227.005810
SMILES
CN1CCNC2=C1C=C(C=N2)Br
InChI
InChI=1S/C8H10BrN3/c1-12-3-2-10-8-7(12)4-6(9)5-11-8/h4-5H,2-3H2,1H3,(H,10,11)
InChIKey
ZKTUOAOQCBTIMC-UHFFFAOYSA-N
Synonyms
7-bromo-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine MFCD18256861 7-Bromo-1-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine SCHEMBL30874428 PS-18216

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.7
TPSA
28.16

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.8
Consensus LogP
1.67
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.9

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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