CAS RN: 194794-54-2
5-(benzyloxy)pentan-2-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.20251222 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS194794-54-2
- Purity/Analytical Methods: >99.0%
194794-54-2 / 5-phenylmethoxypentan-2-ol
Basic Information
CAS
194794-54-2
Multi CAS
No
Molecular Formula
C12H18O2
Molecular Weight
194.270000
Exact Mass
194.130680
SMILES
CC(CCCOCC1=CC=CC=C1)O
InChI
InChI=1S/C12H18O2/c1-11(13)6-5-9-14-10-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKey
MQAOYJYQYFYYIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.01
TPSA
29.46
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2
Consensus LogP
2.15
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-2.23
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
2
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