CAS RN: 73568-30-6
2-CHLORO-7-METHYLSULFANYL-QUINOLINE-3-CARBALDEHYDE
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.20250903 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS73568-30-6
- Purity/Analytical Methods: >99.0%
73568-30-6 / 2-chloro-7-methylsulfanylquinoline-3-carbaldehyde
Basic Information
CAS
73568-30-6
Multi CAS
No
Molecular Formula
C11H8CLNOS
Molecular Weight
237.710000
Exact Mass
237.001513
InChI
InChI=1S/C11H8ClNOS/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-6H,1H3
InChIKey
AZKPVKLQVQZMHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.92
TPSA
29.96
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
3.1
Consensus LogP
3.18
Log S (ESOL)
-3.83
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)
-1.74
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
-
2-CHLORO-6,8-DIMETHYLQUINOLINE-3-CARBOXALDEHYDE
- CAS RN: 73568-31-7
- Product Code: SSC-182985
-
-
-
-
-
N-(pyridin-3-ylmethyl)aniline
- CAS RN: 73570-11-3
- Product Code: starshine_CAS73570-11-3
- Purity/Analytical method: >99.0%
