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CAS 27023-19-4 2,5-DICHLORO-3,6-DIMETHYLPYRAZINE molecular structure lightbox
CAS RN: 27023-19-4

2,5-DICHLORO-3,6-DIMETHYLPYRAZINE

  • Product code: SSC-125600
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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 27023-19-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

27023-19-4 / 2,5-dichloro-3,6-dimethylpyrazine

Standard CAS: 27023-19-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27023-19-4
Multi CAS
No
Molecular Formula
C6H6Cl2N2
Molecular Weight
177.030000
Exact Mass
175.990804
SMILES
CC1=C(N=C(C(=N1)Cl)C)Cl
InChI
InChI=1S/C6H6Cl2N2/c1-3-5(7)10-4(2)6(8)9-3/h1-2H3
InChIKey
NKIZSFXAIKPBCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
41.53
TPSA
25.78

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.5
Consensus LogP
2.34
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.1

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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