![CAS 57668-34-5 3-[3-(Benzyloxy)phenyl]propionic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57668-34-5.gif)
CAS RN: 57668-34-5
3-[3-(Benzyloxy)phenyl]propionic acid
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.20250325 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS57668-34-5
- Purity/Analytical Methods: >99.0%
57668-34-5 / 3-(3-phenylmethoxyphenyl)propanoic acid
Basic Information
CAS
57668-34-5
Multi CAS
No
Molecular Formula
C16H16O3
Molecular Weight
256.300000
Exact Mass
256.109944
InChI
InChI=1S/C16H16O3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-8,11H,9-10,12H2,(H,17,18)
InChIKey
HVXOYUOKPLHWNU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.17
TPSA
46.53
LogP / Solubility
WLOGP
3.28
MLOGP
2.9
XLogP3
3.1
Consensus LogP
3.09
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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