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CAS 1197237-92-5 methyl 2-(5-bromopyrazin-2-yl)acetate molecular structure lightbox
CAS RN: 1197237-92-5

methyl 2-(5-bromopyrazin-2-yl)acetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251026 1g Out of stock 15 business days Inquiry
  • Product code: SSC-020462
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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 1197237-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1197237-92-5 / methyl 2-(5-bromopyrazin-2-yl)acetate

methyl 2-(5-bromopyrazin-2-yl)acetate | MFCD30749401 | 2-Pyrazineacetic acid, 5-bromo-, methyl ester

Standard CAS: 1197237-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197237-92-5
Multi CAS
No
Molecular Formula
C7H7BrN2O2
Molecular Weight
231.050000
Exact Mass
229.969090
SMILES
COC(=O)CC1=CN=C(C=N1)Br
InChI
InChI=1S/C7H7BrN2O2/c1-12-7(11)2-5-3-10-6(8)4-9-5/h3-4H,2H2,1H3
InChIKey
GUQFZEGJAINFNR-UHFFFAOYSA-N
Synonyms
methyl 2-(5-bromopyrazin-2-yl)acetate MFCD30749401 2-Pyrazineacetic acid, 5-bromo-, methyl ester SCHEMBL31292217 AKOS037644596

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
45.45
TPSA
52.08

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
0.6
Consensus LogP
0.8
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.45

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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