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CAS 14609-51-9 Meso-Tetra(4-cyanobenzyl)porphine molecular structure lightbox
CAS RN: 14609-51-9

Meso-Tetra(4-cyanobenzyl)porphine

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250209 1g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260325 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260228 5g Out of stock Inquiry
  • Product code: SSC-057193
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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 14609-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

14609-51-9 / 4-[10,15,20-tris(4-cyanophenyl)-21,23-dihydroporphyrin-5-yl]benzonitrile

Standard CAS: 14609-51-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14609-51-9
Multi CAS
No
Molecular Formula
C48H26N8
Molecular Weight
714.800000
Exact Mass
714.228043
SMILES
C1=CC(=CC=C1C#N)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#N)C8=CC=C(C=C8)C#N)C=C4)C9=CC=C(C=C9)C#N)N3
InChI
InChI=1S/C48H26N8/c49-25-29-1-9-33(10-2-29)45-37-17-19-39(53-37)46(34-11-3-30(26-50)4-12-34)41-21-23-43(55-41)48(36-15-7-32(28-52)8-16-36)44-24-22-42(56-44)47(40-20-18-38(45)54-40)35-13-5-31(27-51)6-14-35/h1-24,53,56H
InChIKey
AQIFPEIUSQBFJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
219.46
TPSA
152.52

LogP / Solubility

WLOGP
10.81
MLOGP
9.57
XLogP3
9.3
Consensus LogP
9.89
Log S (ESOL)
-11.4
Class (ESOL)
Insoluble
Log S (Ali)
-13.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.76
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.6

Drug-likeness / Medicinal Chemistry

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

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