CAS RN: 864817-63-0
Leojaponin
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.20260228 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS864817-63-0
- Purity/Analytical Methods: >99.0%
864817-63-0 / (4aR)-4-[2-(furan-3-yl)ethyl]-1-hydroxy-3,4a,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-one
Basic Information
CAS
864817-63-0
Multi CAS
Yes
Molecular Formula
C20H26O3
Molecular Weight
314.400000
Exact Mass
314.188195
InChI
InChI=1S/C20H26O3/c1-13-15(7-6-14-8-11-23-12-14)20(4)10-5-9-19(2,3)18(20)17(22)16(13)21/h8,11-12,22H,5-7,9-10H2,1-4H3/t20-/m1/s1
InChIKey
OOJGVMFNPNJNFV-HXUWFJFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
90.13
TPSA
50.44
LogP / Solubility
WLOGP
5.14
MLOGP
4.54
XLogP3
4.6
Consensus LogP
4.76
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.33
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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