[email protected]
CAS 1864014-28-7 6-[4-(Trifluoromethyl)phenyl]pyrazine-2-carboxylic Acid molecular structure lightbox
CAS RN: 1864014-28-7

6-[4-(Trifluoromethyl)phenyl]pyrazine-2-carboxylic Acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250519 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-086471
GET A QUOTE
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: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1864014-28-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1864014-28-7 / 6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid

Standard CAS: 1864014-28-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1864014-28-7
Multi CAS
No
Molecular Formula
C12H7F3N2O2
Molecular Weight
268.190000
Exact Mass
268.045962
SMILES
C1=CC(=CC=C1C2=CN=CC(=N2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C12H7F3N2O2/c13-12(14,15)8-3-1-7(2-4-8)9-5-16-6-10(17-9)11(18)19/h1-6H,(H,18,19)
InChIKey
FAQXSXTVBIUBFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.43
TPSA
63.08

LogP / Solubility

WLOGP
2.86
MLOGP
2.53
XLogP3
2.2
Consensus LogP
2.53
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-2.32

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us