CAS RN: 196597-65-6
Ethyl 3-(2,3-Dihydrobenzofuran-5-yl)propenoate
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.20250718 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS196597-65-6
- Purity/Analytical Methods: >99.0%
196597-65-6 / ethyl 3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
Basic Information
CAS
196597-65-6
Multi CAS
No
Molecular Formula
C13H14O3
Molecular Weight
218.250000
Exact Mass
218.094294
SMILES
CCOC(=O)C=CC1=CC2=C(C=C1)OCC2
InChI
InChI=1S/C13H14O3/c1-2-15-13(14)6-4-10-3-5-12-11(9-10)7-8-16-12/h3-6,9H,2,7-8H2,1H3/b6-4+
InChIKey
SJGFAGDJJKISNM-GQCTYLIASA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
61.31
TPSA
35.53
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2.6
Consensus LogP
2.25
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-2.49
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
1.5
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