CAS RN: 27311-65-5
1-CHLOROMETHYL-ISOQUINOLINE
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.20250809 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS27311-65-5
- Purity/Analytical Methods: >99.0%
27311-65-5 / 1-(chloromethyl)isoquinoline
Basic Information
CAS
27311-65-5
Multi CAS
No
Molecular Formula
C10H8CLN
Molecular Weight
177.630000
Exact Mass
177.034527
InChI
InChI=1S/C10H8ClN/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-6H,7H2
InChIKey
LSNWNTHKHQTQMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.3
TPSA
12.89
LogP / Solubility
WLOGP
2.97
MLOGP
2.61
XLogP3
2.5
Consensus LogP
2.69
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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