CAS RN: 98770-70-8
3-(4-Hydroxy-3-Methoxyphenyl)propyl tetracosanoate
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.20260217 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS98770-70-8
- Purity/Analytical Methods: >99.0%
98770-70-8 / 3-(4-hydroxy-3-methoxyphenyl)propyl tetracosanoate
Basic Information
CAS
98770-70-8
Multi CAS
No
Molecular Formula
C34H60O4
Molecular Weight
532.800000
Exact Mass
532.449160
InChI
InChI=1S/C34H60O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-34(36)38-29-24-25-31-27-28-32(35)33(30-31)37-2/h27-28,30,35H,3-26,29H2,1-2H3
InChIKey
IRWIQQFHUCCRRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
27
H-bond acceptors
4
H-bond donors
1
Molar refractivity
161.19
TPSA
55.76
LogP / Solubility
WLOGP
10.48
MLOGP
9.26
XLogP3
13.7
Consensus LogP
11.15
Log S (ESOL)
-8.08
Class (ESOL)
Insoluble
Log S (Ali)
-11.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.06
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)
1.47
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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