CAS RN: 76808-16-7
EBELACTONE A
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250920 | 1mg | Confirm by inquiry | Inquiry |
- Product code: starshine_CAS76808-16-7
- Purity/Analytical Methods: >99.0%
76808-16-7 / 4-(9-hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl)-3-methyloxetan-2-one
Basic Information
CAS
76808-16-7
Multi CAS
Yes
Molecular Formula
C20H34O4
Molecular Weight
338.500000
Exact Mass
338.245710
InChI
InChI=1S/C20H34O4/c1-8-12(3)17(21)15(6)18(22)13(4)9-11(2)10-14(5)19-16(7)20(23)24-19/h9,12-17,19,21H,8,10H2,1-7H3/b11-9+/t12-,13-,14+,15+,16+,17-,19+/m1/s1
InChIKey
WOISDAHQBUYEAF-QIQXJRRPSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.8
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.38
TPSA
63.6
LogP / Solubility
WLOGP
3.77
MLOGP
3.33
XLogP3
4.6
Consensus LogP
3.9
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
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
No
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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