CAS RN: 40680-45-3
Pd(II) Mesoporphyrin IX
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.20260625 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS40680-45-3
- Purity/Analytical Methods: >99.0%
40680-45-3 / 3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;palladium(2+)
Basic Information
CAS
40680-45-3
Multi CAS
Yes
Molecular Formula
C34H36N4O4PD
Molecular Weight
671.100000
Exact Mass
670.177140
InChI
InChI=1S/C34H38N4O4.Pd/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2
InChIKey
VWVXMTBTLYSQMK-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
20
Fraction Csp3
0.35
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
165.89
TPSA
128.58
LogP / Solubility
WLOGP
6.9
MLOGP
6.13
XLogP3
6.9
Consensus LogP
6.64
Log S (ESOL)
-8.17
Class (ESOL)
Insoluble
Log S (Ali)
-10.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.91
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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