[email protected]
CAS 1403461-06-2 Zirconium, octa-μ -hydroxyoctahydroxybis[μ-[4-[10,15,20-tris(4-carboxyphenyl)-21H,23H-porphin-5-yl]benzoato(4-)-κO:κO’]]hexa- molecular structure lightbox
CAS RN: 1403461-06-2

Zirconium, octa-μ -hydroxyoctahydroxybis[μ-[4-[10,15,20-tris(4-carboxyphenyl)-21H,23H-porphin-5-yl]benzoato(4-)-κO:κO’]]hexa-

Product Availability

Choose a grade to view its available package options.

3 package records1 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250520 500mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250702 1g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260509 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1403461-06-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1403461-06-2 / bis(4-[10,15,20-tris(4-carboxylatophenyl)-21,23-dihydroporphyrin-5-yl]benzoate);hexakis(zirconium(4+));hexadecahydroxide

Standard CAS: 1403461-06-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1403461-06-2
Multi CAS
No
Molecular Formula
C96H68N8O32Zr6
Molecular Weight
2392.900000
Exact Mass
2390.827460
SMILES
C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)[O-])C8=CC=C(C=C8)C(=O)[O-])C=C4)C9=CC=C(C=C9)C(=O)[O-])N3)C(=O)[O-].C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)[O-])C8=CC=C(C=C8)C(=O)[O-])C=C4)C9=CC=C(C=C9)C(=O)[O-])N3)C(=O)[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zr+4].[Zr+4].[Zr+4].[Zr+4].[Zr+4].[Zr+4]
InChI
InChI=1S/2C48H30N4O8.16H2O.6Zr/c2*53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58;;;;;;;;;;;;;;;;;;;;;;/h2*1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60);16*1H2;;;;;;/q;;;;;;;;;;;;;;;;;;6*+4/p-24
InChIKey
GBGALHXYSPCIHT-UHFFFAOYSA-A

Computed Properties

Structural Parameters

Heavy atom count
142
Aromatic heavy atom count
88
Rotatable bonds
16
H-bond acceptors
36
H-bond donors
4
Molar refractivity
466.82
TPSA
915.76

LogP / Solubility

WLOGP
6.71
MLOGP
6.17
XLogP3
6.71
Consensus LogP
6.53
Log S (ESOL)
-18.31
Class (ESOL)
Insoluble
Log S (Ali)
-24.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-12.55

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us