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CAS 1174321-06-2 5-(trifluoroMethyl)pyrazine-2-carboxylic acid molecular structure lightbox
CAS RN: 1174321-06-2

5-(trifluoroMethyl)pyrazine-2-carboxylic acid

Product Availability

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260322 1g In stock Inquiry
Batchno.20260424 250mg In stock Inquiry
Batchno.20250329 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250522 100mg In stock Shanghai Inquiry
Batchno.20251204 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250518 250mg In stock Shanghai Inquiry
Batchno.20250312 25g In stock Shanghai Inquiry
Batchno.20250501 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-017312
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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: 5g
  • 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 1174321-06-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1174321-06-2 / 5-(difluoromethyl)pyrazine-2-carboxylic acid

RefChem:535384 | 5-Difluoromethympyrazine-2-carboxylic acid | 692-801-2

Standard CAS: 1174321-06-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1174321-06-2
Multi CAS
Yes
Molecular Formula
C6H4F2N2O2
Molecular Weight
174.100000
Exact Mass
174.024084
SMILES
C1=C(N=CC(=N1)C(=O)O)C(F)F
InChI
InChI=1S/C6H4F2N2O2/c7-5(8)3-1-10-4(2-9-3)6(11)12/h1-2,5H,(H,11,12)
InChIKey
UYWJPTNAOQSWOS-UHFFFAOYSA-N
Synonyms
RefChem:535384 5-Difluoromethympyrazine-2-carboxylic acid 692-801-2 5-(difluoromethyl)pyrazine-2-carboxylic acid MFCD20640530

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.95
TPSA
63.08

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
0.3
Consensus LogP
0.8
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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