CAS RN: 2265925-12-8
Juncatrin A
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.20260603 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2265925-12-8
- Purity/Analytical Methods: >99.0%
2265925-12-8 / 1-(3,7-dihydroxy-2,8-dimethyl-9,10-dihydrophenanthren-1-yl)ethanone
Basic Information
CAS
2265925-12-8
Multi CAS
No
Molecular Formula
C18H18O3
Molecular Weight
282.300000
Exact Mass
282.125594
SMILES
CC1=C(C=CC2=C1CCC3=C(C(=C(C=C32)O)C)C(=O)C)O
InChI
InChI=1S/C18H18O3/c1-9-12-4-5-14-15(13(12)6-7-16(9)20)8-17(21)10(2)18(14)11(3)19/h6-8,20-21H,4-5H2,1-3H3
InChIKey
BKYRXSJSNCLUHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
82.09
TPSA
57.53
LogP / Solubility
WLOGP
3.68
MLOGP
3.25
XLogP3
3.5
Consensus LogP
3.48
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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