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CAS 77168-84-4 2-Pyrazinecarboxylic acid, 4,5-dihydro-6-Methyl-5-oxo-, Methyl ester molecular structure lightbox
CAS RN: 77168-84-4

2-Pyrazinecarboxylic acid, 4,5-dihydro-6-Methyl-5-oxo-, Methyl ester

  • Product code: SSC-186665
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 77168-84-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shanghai Inquiry

77168-84-4 / methyl 5-methyl-6-oxo-1H-pyrazine-3-carboxylate

Standard CAS: 77168-84-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77168-84-4
Multi CAS
Yes
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
InChI
InChI=1S/C7H8N2O3/c1-4-6(10)8-3-5(9-4)7(11)12-2/h3H,1-2H3,(H,8,10)
InChIKey
JCMZXOQWHTZUFP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.93
TPSA
72.05

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.12
XLogP3
-0.7
Consensus LogP
-0.32
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very 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)
-3.84

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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