CAS RN: 67886-68-4
2-chloro-6-methoxynaphthalene
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.20250614 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS67886-68-4
- Purity/Analytical Methods: >99.0%
67886-68-4 / 2-chloro-6-methoxynaphthalene
Basic Information
CAS
67886-68-4
Multi CAS
No
Molecular Formula
C11H9CLO
Molecular Weight
192.640000
Exact Mass
192.034193
InChI
InChI=1S/C11H9ClO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H3
InChIKey
DFJBXCAVJOGNDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.51
TPSA
9.23
LogP / Solubility
WLOGP
3.5
MLOGP
3.08
XLogP3
4.1
Consensus LogP
3.56
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-1.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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