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CAS 2683-82-1 2,3,7,8,12,13,17,18-Octaethylporphyrin molecular structure lightbox
CAS RN: 2683-82-1

2,3,7,8,12,13,17,18-Octaethylporphyrin

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250516 100mg / 500mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250216 100mg In stock Shanghai Inquiry
Batchno.20251226 1g In stock Shanghai Inquiry
Batchno.20260421 250mg In stock Shanghai Inquiry
Batchno.20250213 5g Out of stock Inquiry
  • Product code: SSC-125131
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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 2683-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2683-82-1 / 2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin

Standard CAS: 2683-82-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2683-82-1
Multi CAS
No
Molecular Formula
C36H46N4
Molecular Weight
534.800000
Exact Mass
534.372247
SMILES
CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC
InChI
InChI=1S/C36H46N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37-38H,9-16H2,1-8H3
InChIKey
XFIIGRBIXXECHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
20
Fraction Csp3
0.44
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
173.31
TPSA
57.36

LogP / Solubility

WLOGP
10.03
MLOGP
8.86
XLogP3
8.5
Consensus LogP
9.13
Log S (ESOL)
-9.31
Class (ESOL)
Insoluble
Log S (Ali)
-11.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.42
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)
1.14

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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