CAS RN: 160507-18-6
Dihydroxyalnusone
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.20260210 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS160507-18-6
- Purity/Analytical Methods: >99.0%
160507-18-6 / (10Z)-3,8,12,17-tetrahydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),10,14(18),15-heptaen-9-one
Basic Information
CAS
160507-18-6
Multi CAS
No
Molecular Formula
C19H18O5
Molecular Weight
326.300000
Exact Mass
326.115424
SMILES
C1C(/C=C\C(=O)C(CC2=CC(=C(C=C2)O)C3=C(C=CC1=C3)O)O)O
InChI
InChI=1S/C19H18O5/c20-13-3-6-18(23)19(24)10-12-2-5-17(22)15(9-12)14-8-11(7-13)1-4-16(14)21/h1-6,8-9,13,19-22,24H,7,10H2/b6-3-
InChIKey
OJIUVQVUWGUCHF-UTCJRWHESA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.21
H-bond acceptors
5
H-bond donors
4
Molar refractivity
88.78
TPSA
97.99
LogP / Solubility
WLOGP
1.71
MLOGP
1.52
XLogP3
2
Consensus LogP
1.74
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
9
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