CAS RN: 5432-17-7
ETHYL M-ETHOXYBENZOATE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250513 | 5g / 25g / 100g / 500g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5432-17-7
- Purity/Analytical Methods: >99.0%
5432-17-7 / ethyl 3-ethoxybenzoate
Basic Information
CAS
5432-17-7
Multi CAS
Yes
Molecular Formula
C11H14O3
Molecular Weight
194.230000
Exact Mass
194.094294
InChI
InChI=1S/C11H14O3/c1-3-13-10-7-5-6-9(8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
InChIKey
BQXRZUDSLFBQDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
53.57
TPSA
35.53
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.9
Consensus LogP
2.38
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
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)
-2.3
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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