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CAS 125565-45-9 MANGANESE(III) 5 10 15 20-TETRA(4-PYRID& molecular structure lightbox
CAS RN: 125565-45-9

MANGANESE(III) 5 10 15 20-TETRA(4-PYRID&

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260603 100mg In stock Shanghai Inquiry
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Batchno.20251005 100mg In stock Shanghai Inquiry
Batchno.20260121 1g In stock Shanghai Inquiry
Batchno.20250122 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS125565-45-9
  • Purity/Analytical Methods: >99.0%
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125565-45-9 / manganese(3+);5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methyl-4-pyridinylidene)porphyrin-22-ide;pentachloride

Standard CAS: 125565-45-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
125565-45-9
Multi CAS
No
Molecular Formula
C44H36Cl5MnN8
Molecular Weight
909.000000
Exact Mass
908.085650
SMILES
CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)C=C3)C=C1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+3]
InChI
InChI=1S/C44H36N8.5ClH.Mn/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;;;;;;/h5-28H,1-4H3;5*1H;/q+2;;;;;;+3/p-5
InChIKey
OHZZTXYKLXZFSZ-UHFFFAOYSA-I

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
23
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
204.37
TPSA
66.06

LogP / Solubility

WLOGP
-9.62
MLOGP
-8.38
XLogP3
-9.62
Consensus LogP
-9.21
Log S (ESOL)
0.49
Class (ESOL)
Highly soluble
Log S (Ali)
-0.07
Class (Ali)
Very soluble
Log S (SILICOS-IT)
2.06
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)
-15.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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