CAS RN: 63034-29-7
Hexacosyl (E)-ferulate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260326 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS63034-29-7
- Purity/Analytical Methods: >99.0%
63034-29-7 / hexacosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Basic Information
CAS
63034-29-7
Multi CAS
Yes
Molecular Formula
C36H62O4
Molecular Weight
558.900000
Exact Mass
558.464810
InChI
InChI=1S/C36H62O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-40-36(38)30-28-33-27-29-34(37)35(32-33)39-2/h27-30,32,37H,3-26,31H2,1-2H3/b30-28+
InChIKey
LMNZEDXMWAJKBB-SJCQXOIGSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
28
H-bond acceptors
4
H-bond donors
1
Molar refractivity
171.13
TPSA
55.76
LogP / Solubility
WLOGP
11.34
MLOGP
10.02
XLogP3
15
Consensus LogP
12.12
Log S (ESOL)
-8.71
Class (ESOL)
Insoluble
Log S (Ali)
-12.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.92
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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