CAS RN: 88565-88-2
4,6,8-Trimethylquinoline
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-199658
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
88565-88-2 / 4,6,8-trimethylquinoline
Basic Information
CAS
88565-88-2
Multi CAS
No
Molecular Formula
C12H13N
Molecular Weight
171.240000
Exact Mass
171.104799
InChI
InChI=1S/C12H13N/c1-8-6-10(3)12-11(7-8)9(2)4-5-13-12/h4-7H,1-3H3
InChIKey
HNCYZWOTJQPKTQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.25
H-bond acceptors
1
Molar refractivity
55.95
TPSA
12.89
LogP / Solubility
WLOGP
3.16
MLOGP
2.78
XLogP3
3.3
Consensus LogP
3.08
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 190728-25-7 4-[(6,7-Dimethoxyquinolin-4-yl)oxy]aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5070-jpgcontextbwfzdgvyfhjvb3r8ndy2ndl8aw1hz2uvanblz3xoytuvadm5lzg5mzazntywmzu2mtqvrduwnzauanbnfdyynddhzja5mzu3odq0odcxmtm2zdjkzdrhnzdizta3ntq1mddlzmjhndm5yjdjmtnknjvizgrjyzvmnwjhyzc.jpeg)