![CAS 24807-37-2 (2E)-3-[3-(benzyloxy)-4-methoxyphenyl]prop-2-enoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24807-37-2.gif)
CAS RN: 24807-37-2
(2E)-3-[3-(benzyloxy)-4-methoxyphenyl]prop-2-enoic 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.20250330 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24807-37-2
- Purity/Analytical Methods: >99.0%
24807-37-2 / 3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enoic acid
Basic Information
CAS
24807-37-2
Multi CAS
No
Molecular Formula
C17H16O4
Molecular Weight
284.310000
Exact Mass
284.104859
SMILES
COC1=C(C=C(C=C1)C=CC(=O)O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H16O4/c1-20-15-9-7-13(8-10-17(18)19)11-16(15)21-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,18,19)
InChIKey
FQCWLBGBAQCDJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.44
TPSA
55.76
LogP / Solubility
WLOGP
3.37
MLOGP
2.98
XLogP3
3.1
Consensus LogP
3.15
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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