CAS RN: 50838-11-4
14,15-Didehydroisoeburnamine
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.20260404 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS50838-11-4
- Purity/Analytical Methods: >99.0%
50838-11-4 / 15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaen-17-ol
Basic Information
CAS
50838-11-4
Multi CAS
Yes
Molecular Formula
C19H22N2O
Molecular Weight
294.400000
Exact Mass
294.173213
InChI
InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-7,9,16,18,22H,2,8,10-12H2,1H3/t16-,18-,19+/m1/s1
InChIKey
HQEIVSZGVBPOQZ-QRQLOZEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.69
TPSA
28.4
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
2.8
Consensus LogP
3.07
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
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- CAS RN: 50844-30-9
- Product Code: starshine_CAS50844-30-9
- Purity/Analytical method: >99.0%
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