CAS RN: 13112-58-8
7-ETHYLNAPHTHALEN-1-OL
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.20260516 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS13112-58-8
- Purity/Analytical Methods: >99.0%
13112-58-8 / 7-ethylnaphthalen-1-ol
Basic Information
CAS
13112-58-8
Multi CAS
No
Molecular Formula
C12H12O
Molecular Weight
172.220000
Exact Mass
172.088815
SMILES
CCC1=CC2=C(C=CC=C2O)C=C1
InChI
InChI=1S/C12H12O/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h3-8,13H,2H2,1H3
InChIKey
SOLLOIYMYIQOGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.99
TPSA
20.23
LogP / Solubility
WLOGP
3.11
MLOGP
2.73
XLogP3
3.6
Consensus LogP
3.15
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-1.56
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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