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CAS 22112-77-2 meso-Tetra (4-chlorophenyl) porphine molecular structure lightbox
CAS RN: 22112-77-2

meso-Tetra (4-chlorophenyl) porphine

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250607 1g In stock Inquiry
Batchno.20250618 250mg In stock Inquiry
Batchno.20250411 25g In stock Inquiry
Batchno.20250720 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250930 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260520 250mg In stock Shanghai Inquiry
Batchno.20251017 25g Out of stock Inquiry
Batchno.20260118 5g In stock Tianjin, Wuhan Inquiry
  • Product code: SSC-106374
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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: 5g
  • 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 22112-77-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

22112-77-2 / 5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin

Standard CAS: 22112-77-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22112-77-2
Multi CAS
No
Molecular Formula
C44H26Cl4N4
Molecular Weight
752.500000
Exact Mass
752.088208
SMILES
C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C=C4)C9=CC=C(C=C9)Cl)N3)Cl
InChI
InChI=1S/C44H26Cl4N4/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H
InChIKey
KLMHOLCGHWVPMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
220.64
TPSA
57.36

LogP / Solubility

WLOGP
13.94
MLOGP
12.33
XLogP3
12.9
Consensus LogP
13.06
Log S (ESOL)
-13.65
Class (ESOL)
Insoluble
Log S (Ali)
-15.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.6
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)
2.58

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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