[email protected]
CAS 380355-65-7 ethyl 2-methyl-6-(trifluoromethyl)nicotinate molecular structure lightbox
CAS RN: 380355-65-7

ethyl 2-methyl-6-(trifluoromethyl)nicotinate

  • Product code: SSC-145492
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
  • Available purity: >97%
  • 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 380355-65-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry

380355-65-7 / ethyl 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

Standard CAS: 380355-65-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
380355-65-7
Multi CAS
Yes
Molecular Formula
C10F3H10NO2
Molecular Weight
233.190000
Exact Mass
233.066363
InChI
InChI=1S/C10H10F3NO2/c1-3-16-9(15)7-4-5-8(10(11,12)13)14-6(7)2/h4-5H,3H2,1-2H3
InChIKey
VWUMOTRXCZMICA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
49.93
TPSA
39.19

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
2.4
Consensus LogP
2.42
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-2.31

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us