CAS RN: 101349-60-4
2-(1-Naphthyl)-1-propanol
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.20250324 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS101349-60-4
- Purity/Analytical Methods: >99.0%
101349-60-4 / 2-naphthalen-1-ylpropan-1-ol
2-(Naphthalen-1-yl)propan-1-ol | 2-(1-Naphthyl)-1-propanol | 2-(1-naphthyl)propan-1-ol
Basic Information
CAS
101349-60-4
Multi CAS
Yes
Molecular Formula
C13H14O
Molecular Weight
186.250000
Exact Mass
186.104465
SMILES
CC(CO)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H14O/c1-10(9-14)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10,14H,9H2,1H3
InChIKey
YZMWRFOKAISJQX-UHFFFAOYSA-N
Synonyms
2-(Naphthalen-1-yl)propan-1-ol
2-(1-Naphthyl)-1-propanol
2-(1-naphthyl)propan-1-ol
2-naphthalen-1-ylpropan-1-ol
MFCD19301710
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.45
TPSA
20.23
LogP / Solubility
WLOGP
2.94
MLOGP
2.58
XLogP3
3.1
Consensus LogP
2.87
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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