CAS RN: 512-85-6
ASCARIDOLE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260624 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS512-85-6
- Purity/Analytical Methods: >99.0%
512-85-6 / 1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene
Basic Information
CAS
512-85-6
Multi CAS
Yes
Molecular Formula
C10H16O2
Molecular Weight
168.230000
Exact Mass
168.115030
InChI
InChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3
InChIKey
MGYMHQJELJYRQS-UHFFFAOYSA-N
Physical Properties
Melting Point
3.3 °C
Boiling Point
112.00 to 115.00 °C. @ 20.00 mm Hg
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.52
TPSA
18.46
LogP / Solubility
WLOGP
2.45
MLOGP
2.15
XLogP3
2.3
Consensus LogP
2.3
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
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
4.5
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