CAS RN: 35836-72-7
(1R)-(-)-NOPYL ACETATE
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.20251127 | 10mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS35836-72-7
- Purity/Analytical Methods: >99.0%
35836-72-7 / 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl acetate
Basic Information
CAS
35836-72-7
Multi CAS
Yes
Molecular Formula
C13H20O2
Molecular Weight
208.300000
Exact Mass
208.146330
InChI
InChI=1S/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3/t11-,12-/m0/s1
InChIKey
AWNOGHRWORTNEI-RYUDHWBXSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.77
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
59.33
TPSA
26.3
LogP / Solubility
WLOGP
2.93
MLOGP
2.58
XLogP3
2.6
Consensus LogP
2.7
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly 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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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