CAS RN: 1070880-14-6
8-CHLORO-6-METHYL-2-PROPYL-4-QUINOLINOL
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.20250531 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1070880-14-6
- Purity/Analytical Methods: >99.0%
1070880-14-6 / 8-chloro-6-methyl-2-propyl-1H-quinolin-4-one
8-Chloro-6-methyl-2-propyl-4-quinolinol | 8-chloro-6-methyl-2-propylquinolin-4-ol | 8-chloro-6-methyl-2-propyl-1H-quinolin-4-one
Basic Information
CAS
1070880-14-6
Multi CAS
No
Molecular Formula
C13H14ClNO
Molecular Weight
235.710000
Exact Mass
235.076392
SMILES
CCCC1=CC(=O)C2=C(N1)C(=CC(=C2)C)Cl
InChI
InChI=1S/C13H14ClNO/c1-3-4-9-7-12(16)10-5-8(2)6-11(14)13(10)15-9/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKey
IKBKNEJXIKNURO-UHFFFAOYSA-N
Synonyms
8-Chloro-6-methyl-2-propyl-4-quinolinol
8-chloro-6-methyl-2-propylquinolin-4-ol
8-chloro-6-methyl-2-propyl-1H-quinolin-4-one
MFCD11505273
8-Chloro-4-hydroxy-6-methyl-2-propylquinoline
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.31
TPSA
32.86
LogP / Solubility
WLOGP
3.44
MLOGP
3.03
XLogP3
3.7
Consensus LogP
3.39
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly 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)
-1.71
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
-
Phochinenin G
- CAS RN: 1070883-75-8
- Product Code: starshine_CAS1070883-75-8
- Purity/Analytical method: >99.0%
-
Phochinenin I
- CAS RN: 1070883-77-0
- Product Code: starshine_CAS1070883-77-0
- Purity/Analytical method: >99.0%
-
5-chlorothiophen-2-aMine hydrochloride
- CAS RN: 1070886-43-9
- Product Code: starshine_CAS1070886-43-9
- Purity/Analytical method: >99.0%
-
-
4-Piperidinone,3-fluoro,HCl
- CAS RN: 1070896-59-1
- Product Code: starshine_CAS1070896-59-1
- Purity/Analytical method: >99.0%
-
