CAS RN: 18615-59-3
4-CHLORO-8-FLUORO-2-METHYLQUINOLINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251117 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS18615-59-3
- Purity/Analytical Methods: >99.0%
18615-59-3 / 4-chloro-8-fluoro-2-methylquinoline
Basic Information
CAS
18615-59-3
Multi CAS
No
Molecular Formula
C10H7ClFN
Molecular Weight
195.620000
Exact Mass
195.025105
SMILES
CC1=CC(=C2C=CC=C(C2=N1)F)Cl
InChI
InChI=1S/C10H7ClFN/c1-6-5-8(11)7-3-2-4-9(12)10(7)13-6/h2-5H,1H3
InChIKey
PKLIYBDVJXLAHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
51.45
TPSA
12.89
LogP / Solubility
WLOGP
3.34
MLOGP
2.93
XLogP3
3.3
Consensus LogP
3.19
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54
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
Irritant
Signal
Danger
GHS Hazard Statements
H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
