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CAS 588702-68-5 methyl 2-(trifluoromethyl)isonicotinate molecular structure lightbox
CAS RN: 588702-68-5

methyl 2-(trifluoromethyl)isonicotinate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-167198
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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, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 588702-68-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

588702-68-5 / methyl 2-(trifluoromethyl)pyridine-4-carboxylate

Standard CAS: 588702-68-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
588702-68-5
Multi CAS
No
Molecular Formula
C8F3H6NO2
Molecular Weight
205.130000
Exact Mass
205.035063
InChI
InChI=1S/C8H6F3NO2/c1-14-7(13)5-2-3-12-6(4-5)8(9,10)11/h2-4H,1H3
InChIKey
XQCJUIRPIWHLLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.58
TPSA
39.19

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
1.6
Consensus LogP
1.72
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.63

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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