CAS RN: 2173-57-1
2-Isobutoxynaphthalene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250517 | 25g / 100g / 500g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-104800
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
2173-57-1 / 2-(2-methylpropoxy)naphthalene
Basic Information
CAS
2173-57-1
Multi CAS
No
Molecular Formula
C14H16O
Molecular Weight
200.280000
Exact Mass
200.120115
SMILES
CC(C)COC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3
InChIKey
XOHIHZHSDMWWMS-UHFFFAOYSA-N
Physical Properties
Melting Point
33 °C
Boiling Point
308.00 to 309.00 °C. @ 760.00 mm Hg
Physical Description
Solid
White crystal leaves, sweet, fruity, delicately neroli-orange blossom floral aroma
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
64.28
TPSA
9.23
LogP / Solubility
WLOGP
3.87
MLOGP
3.41
XLogP3
4.8
Consensus LogP
4.03
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
