CAS RN: 22594-91-8
(5β,6α,15R)-11,12-Didehydro-15-methyllycopodane-5,6-diol
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 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS22594-91-8
- Purity/Analytical Methods: >99.0%
22594-91-8 / 15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol
Basic Information
CAS
22594-91-8
Multi CAS
No
Molecular Formula
C16H25NO2
Molecular Weight
263.370000
Exact Mass
263.188529
SMILES
CC1CC2C(C(C3CCCN4C3(C1)C2=CCC4)O)O
InChI
InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h4,10-11,13-15,18-19H,2-3,5-9H2,1H3
InChIKey
PGFDCVXTDHLBKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.88
H-bond acceptors
3
H-bond donors
2
Molar refractivity
73.63
TPSA
43.7
LogP / Solubility
WLOGP
1.55
MLOGP
1.37
XLogP3
1
Consensus LogP
1.31
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
8
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