CAS RN: 41332-02-9
1-(2-Chloroethyl)naphthalene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250804 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: ICTC1490
- Purity/Analytical Methods: >95.0%(GC)
41332-02-9 / 1-(2-chloroethyl)naphthalene
Basic Information
CAS
41332-02-9
Multi CAS
No
Molecular Formula
C12H11CL
Molecular Weight
190.670000
Exact Mass
190.054928
InChI
InChI=1S/C12H11Cl/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2
InChIKey
COIBFCUQUWJKEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
Molar refractivity
58.37
TPSA
0.0000
LogP / Solubility
WLOGP
3.62
MLOGP
3.19
XLogP3
4.4
Consensus LogP
3.74
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly 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)
-1.31
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
