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CAS 13534-75-3 Pyrazinecarboxylic acid, 5-ethyl- (8CI) molecular structure lightbox
CAS RN: 13534-75-3

Pyrazinecarboxylic acid, 5-ethyl- (8CI)

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250613 100mg In stock Shanghai Inquiry
Batchno.20250302 1g In stock Shanghai Inquiry
Batchno.20251008 250mg In stock Shanghai Inquiry
Batchno.20250831 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS13534-75-3
  • Purity/Analytical Methods: >99.0%
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13534-75-3 / 5-ethylpyrazine-2-carboxylic acid

Standard CAS: 13534-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13534-75-3
Multi CAS
No
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
SMILES
CCC1=CN=C(C=N1)C(=O)O
InChI
InChI=1S/C7H8N2O2/c1-2-5-3-9-6(4-8-5)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKey
IBVBYQDRKFUCAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.37
TPSA
63.08

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
0.8
Consensus LogP
0.73
Log S (ESOL)
-1.52
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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