CAS RN: 1616683-54-5
Dodovislactone 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.20251001 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1616683-54-5
- Purity/Analytical Methods: >99.0%
1616683-54-5 / methyl 3-(7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl)propanoate
Basic Information
CAS
1616683-54-5
Multi CAS
No
Molecular Formula
C18H26O4
Molecular Weight
306.400000
Exact Mass
306.183109
SMILES
CC1CCC23COC(=O)C2=CCCC3C1(C)CCC(=O)OC
InChI
InChI=1S/C18H26O4/c1-12-7-10-18-11-22-16(20)13(18)5-4-6-14(18)17(12,2)9-8-15(19)21-3/h5,12,14H,4,6-11H2,1-3H3
InChIKey
MFJPXUVIKWWZNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
81.95
TPSA
52.6
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
3.6
Consensus LogP
3.25
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5.5
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