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CAS 28265-17-0 2,3,7,8,12,13,17,18-OCTAETHYL-21H,23H-PORPHINE MANGANESE(III) CHLORIDE molecular structure lightbox
CAS RN: 28265-17-0

2,3,7,8,12,13,17,18-OCTAETHYL-21H,23H-PORPHINE MANGANESE(III) CHLORIDE

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3 package records3 with current stock2 grade groups
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Batchno.20250429 10mg In stock Shanghai Inquiry
  • Product code: starshine_CAS28265-17-0
  • Purity/Analytical Methods: >99.0%
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28265-17-0 / manganese(3+);2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide;chloride

Standard CAS: 28265-17-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28265-17-0
Multi CAS
Yes
Molecular Formula
C36H44CLMNN4
Molecular Weight
623.100000
Exact Mass
622.263493
InChI
InChI=1S/C36H44N4.ClH.Mn/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;;/h17-20H,9-16H2,1-8H3;1H;/q-2;;+3/p-1
InChIKey
ZMCDJCAIDCCCKY-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
20
Fraction Csp3
0.44
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
171.24
TPSA
53.98

LogP / Solubility

WLOGP
6.29
MLOGP
5.58
XLogP3
6.29
Consensus LogP
6.05
Log S (ESOL)
-7.49
Class (ESOL)
Insoluble
Log S (Ali)
-9.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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