CAS RN: 307496-25-9
Diethyldicyclopentadiene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251027 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS307496-25-9
- Purity/Analytical Methods: >99.0%
307496-25-9 / 3,7-diethyltricyclo[5.2.1.02,6]deca-3,8-diene
Basic Information
CAS
307496-25-9
Multi CAS
Yes
Molecular Formula
C14H20
Molecular Weight
188.310000
Exact Mass
188.156501
InChI
InChI=1S/C9H14.C5H6/c1-3-9(4-2)7-5-6-8-9;1-2-4-5-3-1/h5-8H,3-4H2,1-2H3;1-4H,5H2
InChIKey
KUSNIRKCHPTFMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.71
Rotatable bonds
2
Molar refractivity
59.94
TPSA
0.0000
LogP / Solubility
WLOGP
3.95
MLOGP
3.47
XLogP3
3.9
Consensus LogP
3.77
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.4
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)
-1.07
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
5.5
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