CAS RN: 68133-75-5
CINNAMIC ACID CIS-3-HEXEN-1-YL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260311 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS68133-75-5
- Purity/Analytical Methods: >99.0%
68133-75-5 / hex-3-enyl 3-phenylprop-2-enoate
Basic Information
CAS
68133-75-5
Multi CAS
Yes
Molecular Formula
C15H18O2
Molecular Weight
230.300000
Exact Mass
230.130680
InChI
InChI=1S/C15H18O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h3-7,9-12H,2,8,13H2,1H3
InChIKey
FKWGVMQNGUQXDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
70.48
TPSA
26.3
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
4.4
Consensus LogP
3.72
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly 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)
-1.57
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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![CAS 68144-21-8 (3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-D-galactopyranosyl-(1-2)-O-[O-beta-D-xylopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-3)]-alpha-L-arabinopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/68144-21-8.gif)
