CAS RN: 2222285-82-5
Epimedonin H
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.20250312 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS2222285-82-5
- Purity/Analytical Methods: >99.0%
2222285-82-5 / 5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-2-(4-hydroxyphenoxy)chromen-4-one
Basic Information
CAS
2222285-82-5
Multi CAS
No
Molecular Formula
C20H18O7
Molecular Weight
370.400000
Exact Mass
370.105253
SMILES
CC(=C)C(CC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)OC3=CC=C(C=C3)O)O
InChI
InChI=1S/C20H18O7/c1-10(2)14(22)7-13-15(23)8-16(24)19-17(25)9-18(27-20(13)19)26-12-5-3-11(21)4-6-12/h3-6,8-9,14,21-24H,1,7H2,2H3
InChIKey
BMYNHTLJWIVABZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
98.52
TPSA
120.36
LogP / Solubility
WLOGP
3.18
MLOGP
2.82
XLogP3
3.6
Consensus LogP
3.2
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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