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CAS RN: 18102-49-3
3.5-DIMETHYLPHENETOLE
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.20251123 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS18102-49-3
- Purity/Analytical Methods: >99.0%
18102-49-3 / 1-ethoxy-3,5-dimethylbenzene
Basic Information
CAS
18102-49-3
Multi CAS
No
Molecular Formula
C10H14O
Molecular Weight
150.220000
Exact Mass
150.104465
SMILES
CCOC1=CC(=CC(=C1)C)C
InChI
InChI=1S/C10H14O/c1-4-11-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3
InChIKey
UKLRDAUECUCSDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
47.09
TPSA
9.23
LogP / Solubility
WLOGP
2.7
MLOGP
2.37
XLogP3
3
Consensus LogP
2.69
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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)
-1.72
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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