[email protected]
CAS 140908-89-0 4-CHLORO-2-METHYL-8-(TRIFLUOROMETHYL)QUINOLINE molecular structure lightbox
CAS RN: 140908-89-0

4-CHLORO-2-METHYL-8-(TRIFLUOROMETHYL)QUINOLINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260103 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS140908-89-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

140908-89-0 / 4-chloro-2-methyl-8-(trifluoromethyl)quinoline

Standard CAS: 140908-89-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
140908-89-0
Multi CAS
No
Molecular Formula
C11H7ClF3N
Molecular Weight
245.630000
Exact Mass
245.021911
SMILES
CC1=CC(=C2C=CC=C(C2=N1)C(F)(F)F)Cl
InChI
InChI=1S/C11H7ClF3N/c1-6-5-9(12)7-3-2-4-8(10(7)16-6)11(13,14)15/h2-5H,1H3
InChIKey
FHGWTLJPECDLOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
Molar refractivity
56.49
TPSA
12.89

LogP / Solubility

WLOGP
4.22
MLOGP
3.72
XLogP3
4.1
Consensus LogP
4.01
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.23

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (90.5%): Toxic if swallowed [Danger Acute toxicity, oral] H318 (90.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us