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CAS 210037-58-4 METHYL 5-BROMOPYRAZINE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 210037-58-4

METHYL 5-BROMOPYRAZINE-2-CARBOXYLATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250825 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-099887
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 0.25g, 25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 210037-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shenzhen Inquiry
5g >98% 4 In Stock Shanghai Inquiry
10g >98% 3 In Stock Shenzhen Inquiry
0.25g >98% 2 In Stock Shanghai Inquiry
25g >98% 2 In Stock Beijing Inquiry
100g >98% 1 In Stock Hong Kong Inquiry

210037-58-4 / methyl 5-bromopyrazine-2-carboxylate

Standard CAS: 210037-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
210037-58-4
Multi CAS
No
Molecular Formula
C6H5BrN2O2
Molecular Weight
217.020000
Exact Mass
215.953440
SMILES
COC(=O)C1=CN=C(C=N1)Br
InChI
InChI=1S/C6H5BrN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3
InChIKey
PVTAJWAGBTWOPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
41.07
TPSA
52.08

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
0.5
Consensus LogP
0.81
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.32

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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