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CAS 22112-83-0 5,10,15,20-Tetrakis(4-methoxycarbonylphenyl)porphyrin molecular structure lightbox
CAS RN: 22112-83-0

5,10,15,20-Tetrakis(4-methoxycarbonylphenyl)porphyrin

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251225 10g In stock Shanghai, Wuhan Inquiry
Batchno.20251118 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260329 25g In stock Shenzhen Inquiry
Batchno.20260219 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250830 100mg / 250mg / 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shandong, Shanghai, Guangdong Inquiry
  • Product code: SSC-106378
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22112-83-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

22112-83-0 / methyl 4-[10,15,20-tris(4-methoxycarbonylphenyl)-21,23-dihydroporphyrin-5-yl]benzoate

Standard CAS: 22112-83-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22112-83-0
Multi CAS
No
Molecular Formula
C52H38N4O8
Molecular Weight
846.900000
Exact Mass
846.268964
SMILES
COC(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)OC)C8=CC=C(C=C8)C(=O)OC)C=C4)C9=CC=C(C=C9)C(=O)OC)N3
InChI
InChI=1S/C52H38N4O8/c1-61-49(57)33-13-5-29(6-14-33)45-37-21-23-39(53-37)46(30-7-15-34(16-8-30)50(58)62-2)41-25-27-43(55-41)48(32-11-19-36(20-12-32)52(60)64-4)44-28-26-42(56-44)47(40-24-22-38(45)54-40)31-9-17-35(18-10-31)51(59)63-3/h5-28,53,56H,1-4H3
InChIKey
NVCZKUSRWBBGAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
64
Aromatic heavy atom count
44
Fraction Csp3
0.08
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
2
Molar refractivity
245.96
TPSA
162.56

LogP / Solubility

WLOGP
10.47
MLOGP
9.29
XLogP3
9.8
Consensus LogP
9.85
Log S (ESOL)
-11.67
Class (ESOL)
Insoluble
Log S (Ali)
-14.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.81
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)
-0.45

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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