CAS RN: 198827-23-5
(7R)-Methoxy-8-epi-matairesinol
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.20250111 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS198827-23-5
- Purity/Analytical Methods: >99.0%
198827-23-5 / (3R,4R)-3-[(R)-(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Basic Information
CAS
198827-23-5
Multi CAS
No
Molecular Formula
C21H24O7
Molecular Weight
388.400000
Exact Mass
388.152203
SMILES
COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@H]2[C@H](C3=CC(=C(C=C3)O)OC)OC)O
InChI
InChI=1S/C21H24O7/c1-25-17-9-12(4-6-15(17)22)8-14-11-28-21(24)19(14)20(27-3)13-5-7-16(23)18(10-13)26-2/h4-7,9-10,14,19-20,22-23H,8,11H2,1-3H3/t14-,19+,20-/m0/s1
InChIKey
XFRKTFIYHNVQBQ-KPOBHBOGSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
100.71
TPSA
94.45
LogP / Solubility
WLOGP
2.83
MLOGP
2.52
XLogP3
2.7
Consensus LogP
2.68
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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