CAS RN: 91240-91-4
Cliogoinol methyl derivative
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.20250529 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS91240-91-4
- Purity/Analytical Methods: >99.0%
91240-91-4 / 5-chloro-7-iodo-8-methoxyquinoline
Basic Information
CAS
91240-91-4
Multi CAS
No
Molecular Formula
C11H7LiNO
Molecular Weight
319.520000
Exact Mass
318.926090
InChI
InChI=1S/C10H7ClINO/c1-14-10-8(12)5-7(11)6-3-2-4-13-9(6)10/h2-5H,1H3
InChIKey
YODYZPGSHFTXFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
66.02
TPSA
22.12
LogP / Solubility
WLOGP
3.5
MLOGP
3.1
XLogP3
3.4
Consensus LogP
3.33
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18
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
