CAS RN: 87602-66-2
AURORA 19332
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.20251113 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS87602-66-2
- Purity/Analytical Methods: >99.0%
87602-66-2 / 4-chloro-2,6,8-trimethylquinoline
Basic Information
CAS
87602-66-2
Multi CAS
Yes
Molecular Formula
C12H12CLN
Molecular Weight
205.680000
Exact Mass
205.065827
InChI
InChI=1S/C12H12ClN/c1-7-4-8(2)12-10(5-7)11(13)6-9(3)14-12/h4-6H,1-3H3
InChIKey
FGGSFRDVXDCVEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.25
H-bond acceptors
1
Molar refractivity
60.96
TPSA
12.89
LogP / Solubility
WLOGP
3.81
MLOGP
3.36
XLogP3
3.9
Consensus LogP
3.69
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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)
-1.27
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
-
-
-
-
-
ptaquiloside
- CAS RN: 87625-62-5
- Product Code: starshine_CAS87625-62-5
- Purity/Analytical method: >99.0%
-
