CAS RN: 55786-24-8
7,8-DEHYDRORUTAECARPINE
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.20250601 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55786-24-8
- Purity/Analytical Methods: >99.0%
55786-24-8 / 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,15,17,19-nonaen-14-one
Basic Information
CAS
55786-24-8
Multi CAS
No
Molecular Formula
C18H11N3O
Molecular Weight
285.300000
Exact Mass
285.090212
InChI
InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-10,19H
InChIKey
KLONOPPMRIDVGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
21
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.33
TPSA
50.16
LogP / Solubility
WLOGP
3.48
MLOGP
3.07
XLogP3
3.1
Consensus LogP
3.22
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
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
3.5
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