CAS RN: 16533-50-9
3-propoxyphenol
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.20250421 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS16533-50-9
- Purity/Analytical Methods: >99.0%
16533-50-9 / 3-propoxyphenol
Basic Information
CAS
16533-50-9
Multi CAS
No
Molecular Formula
C9H12O2
Molecular Weight
152.190000
Exact Mass
152.083730
SMILES
CCCOC1=CC=CC(=C1)O
InChI
InChI=1S/C9H12O2/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7,10H,2,6H2,1H3
InChIKey
YYMPIPSWQOGUME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.89
TPSA
29.46
LogP / Solubility
WLOGP
2.18
MLOGP
1.91
XLogP3
2.6
Consensus LogP
2.23
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.1
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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