![CAS 1134188-26-3 (1S,3aR,4R,6aR)-4-(3,5-Dimethoxyphenyl)tetrahydro-1-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1134188-26-3.gif)
CAS RN: 1134188-26-3
(1S,3aR,4R,6aR)-4-(3,5-Dimethoxyphenyl)tetrahydro-1-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan
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.20250917 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1134188-26-3
- Purity/Analytical Methods: >99.0%
1134188-26-3 / (3R,3aR,6S,6aR)-3-(3,5-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
epimagnolin B | (1S,3aR,4R,6aR)-4-(3,5-Dimethoxyphenyl)tetrahydro-1-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan | (3R,3aR,6S,6aR)-3-(3,5-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
Basic Information
CAS
1134188-26-3
Multi CAS
Yes
Molecular Formula
C23H28O7
Molecular Weight
416.500000
Exact Mass
416.183503
SMILES
COC1=CC(=CC(=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OC
InChI
InChI=1S/C23H28O7/c1-24-15-6-13(7-16(10-15)25-2)21-17-11-30-22(18(17)12-29-21)14-8-19(26-3)23(28-5)20(9-14)27-4/h6-10,17-18,21-22H,11-12H2,1-5H3/t17-,18-,21-,22+/m0/s1
InChIKey
DTZKTJXOROSTPI-YHDSQAASSA-N
Synonyms
epimagnolin B
(1S,3aR,4R,6aR)-4-(3,5-Dimethoxyphenyl)tetrahydro-1-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan
(3R,3aR,6S,6aR)-3-(3,5-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CHEMBL480759
HY-N6261
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
7
H-bond acceptors
7
Molar refractivity
110.01
TPSA
64.61
LogP / Solubility
WLOGP
3.8
MLOGP
3.37
XLogP3
2.9
Consensus LogP
3.36
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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