CAS RN: 286475-30-7
AEOL-10150
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.20250113 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS286475-30-7
- Purity/Analytical Methods: >99.0%
286475-30-7 / manganese(3+);5,10,15-tris(1,3-diethylimidazol-1-ium-2-yl)-20-(1,3-diethylimidazol-2-ylidene)porphyrin-22-ide;pentachloride
Basic Information
CAS
286475-30-7
Multi CAS
Yes
Molecular Formula
C48H56CL5MNN12
Molecular Weight
1033.200000
Exact Mass
1032.254446
InChI
InChI=1S/C48H56N12.5ClH.Mn/c1-9-53-25-26-54(10-2)45(53)41-33-17-19-35(49-33)42(46-55(11-3)27-28-56(46)12-4)37-21-23-39(51-37)44(48-59(15-7)31-32-60(48)16-8)40-24-22-38(52-40)43(36-20-18-34(41)50-36)47-57(13-5)29-30-58(47)14-6;;;;;;/h17-32H,9-16H2,1-8H3;5*1H;/q+2;;;;;;+3/p-5
InChIKey
XMYHQLIAYLLEKT-UHFFFAOYSA-I
Computed Properties
Structural Parameters
Heavy atom count
66
Aromatic heavy atom count
20
Fraction Csp3
0.33
Rotatable bonds
11
H-bond acceptors
8
Molar refractivity
237.3
TPSA
84.09
LogP / Solubility
WLOGP
-8.64
MLOGP
-7.5
XLogP3
-8.64
Consensus LogP
-8.26
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very 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)
-15.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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- Purity/Analytical method: >99.0%
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