![CAS 1823566-66-0 3-[(1-Phenoxy-2-propanyl)oxy]-1-propanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823566-66-0.gif)
CAS RN: 1823566-66-0
3-[(1-Phenoxy-2-propanyl)oxy]-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.20251214 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823566-66-0
- Purity/Analytical Methods: >99.0%
1823566-66-0 / 3-(1-phenoxypropan-2-yloxy)propan-1-ol
Basic Information
CAS
1823566-66-0
Multi CAS
No
Molecular Formula
C12H18O3
Molecular Weight
210.270000
Exact Mass
210.125594
SMILES
CC(COC1=CC=CC=C1)OCCCO
InChI
InChI=1S/C12H18O3/c1-11(14-9-5-8-13)10-15-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3
InChIKey
HGMRWDYHWJNAQY-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.05
TPSA
38.69
LogP / Solubility
WLOGP
1.85
MLOGP
1.63
XLogP3
1.9
Consensus LogP
1.79
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.4
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 101 of 101 companies. For more detailed information, please visit ECHA C&L website.
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