CAS RN: 76497-69-3
15,16-Dir-8(17),11-labdadien-13-one
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.20260427 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS76497-69-3
- Purity/Analytical Methods: >99.0%
76497-69-3 / (E)-4-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)but-3-en-2-one
Basic Information
CAS
76497-69-3
Multi CAS
Yes
Molecular Formula
C18H28O
Molecular Weight
260.400000
Exact Mass
260.214016
InChI
InChI=1S/C18H28O/c1-13-7-10-16-17(3,4)11-6-12-18(16,5)15(13)9-8-14(2)19/h8-9,15-16H,1,6-7,10-12H2,2-5H3/b9-8+
InChIKey
GWLGWWOKIBLQJF-CMDGGOBGSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.72
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
80.91
TPSA
17.07
LogP / Solubility
WLOGP
4.93
MLOGP
4.35
XLogP3
5
Consensus LogP
4.76
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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