CAS RN: 132277-09-9
Naphthalene, 1-chloro-3-Methyl-
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.20250729 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS132277-09-9
- Purity/Analytical Methods: >99.0%
132277-09-9 / 1-chloro-3-methylnaphthalene
Basic Information
CAS
132277-09-9
Multi CAS
No
Molecular Formula
C11H9Cl
Molecular Weight
176.640000
Exact Mass
176.039278
SMILES
CC1=CC2=CC=CC=C2C(=C1)Cl
InChI
InChI=1S/C11H9Cl/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-7H,1H3
InChIKey
FVWGPYXKBKTNEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.09
Molar refractivity
53.7
TPSA
0.0000
LogP / Solubility
WLOGP
3.8
MLOGP
3.34
XLogP3
4.2
Consensus LogP
3.78
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.1
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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