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CAS 36070-83-4 ETHYL 5-BROMO-2-PYRAZINECARBOXYLATE molecular structure lightbox
CAS RN: 36070-83-4

ETHYL 5-BROMO-2-PYRAZINECARBOXYLATE

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251026 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250819 200mg Out of stock 8-10 business days Inquiry
Batchno.20260208 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS36070-83-4
  • Purity/Analytical Methods: >99.0%
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36070-83-4 / ethyl 5-bromopyrazine-2-carboxylate

Standard CAS: 36070-83-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36070-83-4
Multi CAS
No
Molecular Formula
BC7H7O2Rn2
Molecular Weight
231.050000
Exact Mass
229.969090
InChI
InChI=1S/C7H7BrN2O2/c1-2-12-7(11)5-3-10-6(8)4-9-5/h3-4H,2H2,1H3
InChIKey
YMWDNHSAHXMMHH-UHFFFAOYSA-N

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
45.69
TPSA
52.08

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-3.12

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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