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CAS 1258850-50-8 6-(4-Chlorophenyl)pyrazine-2-carboxylic Acid molecular structure lightbox
CAS RN: 1258850-50-8

6-(4-Chlorophenyl)pyrazine-2-carboxylic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250530 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-031241
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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: 0.25g, 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 1258850-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1258850-50-8 / 6-(4-chlorophenyl)pyrazine-2-carboxylic acid

Standard CAS: 1258850-50-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1258850-50-8
Multi CAS
No
Molecular Formula
C11H7ClN2O2
Molecular Weight
234.640000
Exact Mass
234.019605
SMILES
C1=CC(=CC=C1C2=CN=CC(=N2)C(=O)O)Cl
InChI
InChI=1S/C11H7ClN2O2/c12-8-3-1-7(2-4-8)9-5-13-6-10(14-9)11(15)16/h1-6H,(H,15,16)
InChIKey
BRONFCRDDFHGKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.44
TPSA
63.08

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
1.9
Consensus LogP
2.2
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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)
-2.38

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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