CAS RN: 1616683-55-6
Dodovislactone B
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.20251030 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1616683-55-6
- Purity/Analytical Methods: >99.0%
1616683-55-6 / (4aR,5S,6R,8aR)-5-[2-(2-methoxy-5-oxo-2H-furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Basic Information
CAS
1616683-55-6
Multi CAS
No
Molecular Formula
C21H30O5
Molecular Weight
362.500000
Exact Mass
362.209324
SMILES
C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3OC)CCC=C2C(=O)O)C
InChI
InChI=1S/C21H30O5/c1-13-8-10-21(3)15(18(23)24)6-5-7-16(21)20(13,2)11-9-14-12-17(22)26-19(14)25-4/h6,12-13,16,19H,5,7-11H2,1-4H3,(H,23,24)/t13-,16-,19?,20+,21+/m1/s1
InChIKey
FYZIMPKKBJIMEN-RFZNXHICSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.26
TPSA
72.83
LogP / Solubility
WLOGP
4.09
MLOGP
3.61
XLogP3
4.4
Consensus LogP
4.03
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
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
Yes
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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