![CAS 69394-17-8 2(3H)-Furanone, 3,4-bis[[(2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]methyl]dihydro-, (3R,4R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69394-17-8.gif)
CAS RN: 69394-17-8
2(3H)-Furanone, 3,4-bis[[(2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]methyl]dihydro-, (3R,4R)-
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.20250401 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS69394-17-8
- Purity/Analytical Methods: >99.0%
69394-17-8 / 3,4-bis[[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]oxolan-2-one
Basic Information
CAS
69394-17-8
Multi CAS
Yes
Molecular Formula
C40H42O12
Molecular Weight
714.800000
Exact Mass
714.267627
InChI
InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3/t24-,25+,28-,29-,36+,37+/m0/s1
InChIKey
YXNKOCZXAVTXTG-NYGVLQSXSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
24
Fraction Csp3
0.38
Rotatable bonds
12
H-bond acceptors
12
H-bond donors
4
Molar refractivity
187.04
TPSA
162.6
LogP / Solubility
WLOGP
5.13
MLOGP
4.57
XLogP3
4.5
Consensus LogP
4.73
Log S (ESOL)
-7.05
Class (ESOL)
Insoluble
Log S (Ali)
-9.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9
