CAS RN: 34399-44-5
N-Demethyl-α-obscurine
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.20250922 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS34399-44-5
- Purity/Analytical Methods: >99.0%
34399-44-5 / 16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one
Basic Information
CAS
34399-44-5
Multi CAS
Yes
Molecular Formula
C16H24N2O
Molecular Weight
260.370000
Exact Mass
260.188863
InChI
InChI=1S/C16H24N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h10-12,17H,2-9H2,1H3,(H,18,19)/t10-,11+,12-,16-/m1/s1
InChIKey
SODGYLLKKFRBQO-AZKPJATDSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.81
H-bond acceptors
2
H-bond donors
2
Molar refractivity
74.37
TPSA
41.13
LogP / Solubility
WLOGP
2.34
MLOGP
2.07
XLogP3
1.2
Consensus LogP
1.87
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6
