CAS RN: 612-17-9
1,4-Dihydronaphthalene
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251105 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250808 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260226 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250607 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250329 | 5g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
- Product code: ICTD0088
- Purity/Analytical Methods: >80.0%(GC)
612-17-9 / 1,4-dihydronaphthalene
Basic Information
CAS
612-17-9
Multi CAS
No
Molecular Formula
C10H10
Molecular Weight
130.190000
Exact Mass
130.078250
InChI
InChI=1S/C10H10/c1-2-6-10-8-4-3-7-9(10)5-1/h1-6H,7-8H2
InChIKey
FUPIVZHYVSCYLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Molar refractivity
42.99
TPSA
0.0000
LogP / Solubility
WLOGP
2.34
MLOGP
2.05
XLogP3
3
Consensus LogP
2.46
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.85
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
