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CAS 1363382-34-6 3-(4-Chloro-phenyl)-pyrazine-2-carboxylic acid Methyl ester molecular structure lightbox
CAS RN: 1363382-34-6

3-(4-Chloro-phenyl)-pyrazine-2-carboxylic acid Methyl ester

  • Product code: SSC-045372
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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 1363382-34-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1363382-34-6 / methyl 3-(4-chlorophenyl)pyrazine-2-carboxylate

Standard CAS: 1363382-34-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363382-34-6
Multi CAS
No
Molecular Formula
C12H9ClN2O2
Molecular Weight
248.660000
Exact Mass
248.035255
SMILES
COC(=O)C1=NC=CN=C1C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClN2O2/c1-17-12(16)11-10(14-6-7-15-11)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKey
HAGPLXHPHTWLHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
63.82
TPSA
52.08

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

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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