CAS RN: 31183-11-6
ZINC 5,10,15,20-TETRA(4-PYRIDYL)-21 H,23 H-PORPHINE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251127 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS31183-11-6
- Purity/Analytical Methods: >99.0%
31183-11-6 / zinc 5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide
Basic Information
CAS
31183-11-6
Multi CAS
Yes
Molecular Formula
C40H24N8Zn
Molecular Weight
682.100000
Exact Mass
680.141535
InChI
InChI=1S/C40H24N8.Zn/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;/h1-24H;/q-2;+2
InChIKey
PZGANULLXCGPFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
189.72
TPSA
105.54
LogP / Solubility
WLOGP
8.16
MLOGP
7.24
XLogP3
8.16
Consensus LogP
7.85
Log S (ESOL)
-9.61
Class (ESOL)
Insoluble
Log S (Ali)
-11.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.35
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)
-1.09
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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- CAS RN: 31183-91-2
- Product Code: starshine_CAS31183-91-2
- Purity/Analytical method: >99.0%
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