CAS RN: 218791-21-0
IMISOPASEM MANGANESE
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250822 | 1ml | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250817 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251129 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250314 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250808 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260219 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250418 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260603 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS218791-21-0
- Purity/Analytical Methods: >99.0%
218791-21-0 / manganese(2+);(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;dichloride
Basic Information
CAS
218791-21-0
Multi CAS
No
Molecular Formula
C21H35Cl2MnN5
Molecular Weight
483.400000
Exact Mass
482.164995
SMILES
C1CC[C@@H]2[C@@H](C1)NCCN[C@@H]3CCCC[C@H]3NCC4=CC=CC(=N4)CN2.[Cl-].[Cl-].[Mn+2]
InChI
InChI=1S/C21H35N5.2ClH.Mn/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;;;/h5-7,18-25H,1-4,8-15H2;2*1H;/q;;;+2/p-2/t18-,19-,20-,21-;;;/m1.../s1
InChIKey
WXEMWBBXVXHEPU-XNPJUPKFSA-L
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.76
H-bond acceptors
5
H-bond donors
4
Molar refractivity
106.01
TPSA
61.01
LogP / Solubility
WLOGP
-3.92
MLOGP
-3.41
XLogP3
-3.92
Consensus LogP
-3.75
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.45
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5
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