CAS RN: 848133-87-9
6-AMINO-4-CHLORO-7-ETHOXYQUINOLINE-3-CARBONITRILE
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.20260301 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS848133-87-9
- Purity/Analytical Methods: >99.0%
848133-87-9 / 6-amino-4-chloro-7-ethoxyquinoline-3-carbonitrile
Basic Information
CAS
848133-87-9
Multi CAS
No
Molecular Formula
C12H10CLN3O
Molecular Weight
247.680000
Exact Mass
247.051240
InChI
InChI=1S/C12H10ClN3O/c1-2-17-11-4-10-8(3-9(11)15)12(13)7(5-14)6-16-10/h3-4,6H,2,15H2,1H3
InChIKey
WJPAKTRTDVKOKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.05
TPSA
71.93
LogP / Solubility
WLOGP
2.74
MLOGP
2.42
XLogP3
2.2
Consensus LogP
2.45
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3-chloro-4-(pyridin-3-ylmethoxy)aniline
- CAS RN: 848134-24-7
- Product Code: starshine_CAS848134-24-7
- Purity/Analytical method: >99.0%
-
7-Bromo-3-methyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride
- CAS RN: 848135-96-6
- Product Code: starshine_CAS848135-96-6
- Purity/Analytical method: >99.0%
-
6-amino-4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-7-ethoxyquinoline-3-carbonitrile
- CAS RN: 848139-78-6
- Product Code: SSC-192456
-
-
-
([5-(Methylsulfonyl)Pyridin-2-Yl]Methyl)Amine Hydrochloride
- CAS RN: 848141-14-0
- Product Code: SSC-192459
![CAS 848141-14-0 ([5-(Methylsulfonyl)Pyridin-2-Yl]Methyl)Amine Hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/848141-14-0.gif)