![CAS 88497-86-3 (-)-3,4-Dimethoxy-α-[1-[2-methoxy-4-[tetrahydro-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethylfuran-2-yl]phenoxy]ethyl]benzenemethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/88497-86-3.gif)
CAS RN: 88497-86-3
(-)-3,4-Dimethoxy-α-[1-[2-methoxy-4-[tetrahydro-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethylfuran-2-yl]phenoxy]ethyl]benzenemethanol
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.20250924 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS88497-86-3
- Purity/Analytical Methods: >99.0%
88497-86-3 / 4-[(2S,3R,4R,5S)-5-[4-[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Basic Information
CAS
88497-86-3
Multi CAS
Yes
Molecular Formula
C31H38O8
Molecular Weight
538.600000
Exact Mass
538.256668
InChI
InChI=1S/C31H38O8/c1-17-18(2)31(39-30(17)21-8-11-23(32)26(15-21)35-5)22-10-13-25(28(16-22)37-7)38-19(3)29(33)20-9-12-24(34-4)27(14-20)36-6/h8-19,29-33H,1-7H3/t17-,18-,19-,29+,30+,31+/m1/s1
InChIKey
PMOZJIPBLSZHEA-CZDRXDAJSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
18
Fraction Csp3
0.42
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
2
Molar refractivity
147.14
TPSA
95.84
LogP / Solubility
WLOGP
6.01
MLOGP
5.33
XLogP3
5.3
Consensus LogP
5.55
Log S (ESOL)
-6.65
Class (ESOL)
Insoluble
Log S (Ali)
-8.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.35
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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