CAS RN: 349534-73-2
Dodonolide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251021 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS349534-73-2
- Purity/Analytical Methods: >99.0%
349534-73-2 / (6R,7S,8Z,10E)-7-[2-(furan-3-yl)ethyl]-6,7-dimethyl-3,4,5,6-tetrahydrocyclodeca[c]furan-1-one
Basic Information
CAS
349534-73-2
Multi CAS
Yes
Molecular Formula
C20H24O3
Molecular Weight
312.400000
Exact Mass
312.172545
InChI
InChI=1S/C20H24O3/c1-15-6-7-17-14-23-19(21)18(17)5-3-4-10-20(15,2)11-8-16-9-12-22-13-16/h3-5,9-10,12-13,15H,6-8,11,14H2,1-2H3/b5-3+,10-4-/t15-,20+/m1/s1
InChIKey
YOTWCVLUMOQAFC-PKDDAVBISA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
89.8
TPSA
39.44
LogP / Solubility
WLOGP
4.61
MLOGP
4.07
XLogP3
4.9
Consensus LogP
4.53
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
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)
-1.35
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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