CAS RN: 14409-63-3
2 3 7 8 12 13 17 18-OCTAETHYL-21H 23H-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250824 | 25mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS14409-63-3
- Purity/Analytical Methods: >99.0%
14409-63-3 / copper 2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide
Basic Information
CAS
14409-63-3
Multi CAS
No
Molecular Formula
C36H44CuN4
Molecular Weight
596.300000
Exact Mass
595.286195
SMILES
CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)CC.[Cu+2]
InChI
InChI=1S/C36H44N4.Cu/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;/q-2;+2
InChIKey
WYWUPEFEFRBNGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
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
9.28
MLOGP
8.22
XLogP3
9.28
Consensus LogP
8.93
Log S (ESOL)
-9.22
Class (ESOL)
Insoluble
Log S (Ali)
-11.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.2
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)
0.23
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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- Purity/Analytical method: >99.0%
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