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CAS 37116-82-8 5,10,15,20-TETRA(2-NITROPHENYL)PORPHYRIN molecular structure lightbox
CAS RN: 37116-82-8

5,10,15,20-TETRA(2-NITROPHENYL)PORPHYRIN

  • Product code: SSC-144452
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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 37116-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

37116-82-8 / 5,10,15,20-tetrakis(2-nitrophenyl)-21,22-dihydroporphyrin

Standard CAS: 37116-82-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37116-82-8
Multi CAS
Yes
Molecular Formula
C44H26N8O8
Molecular Weight
794.700000
Exact Mass
794.187360
InChI
InChI=1S/C44H26N8O8/c53-49(54)37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50(55)56)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52(59)60)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51(57)58/h1-24,45-46H
InChIKey
ODWDWDPQJZBEOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
60
Aromatic heavy atom count
44
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
2
Molar refractivity
227.22
TPSA
229.92

LogP / Solubility

WLOGP
10.96
MLOGP
9.71
XLogP3
9.7
Consensus LogP
10.12
Log S (ESOL)
-11.68
Class (ESOL)
Insoluble
Log S (Ali)
-13.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.88
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)
0.21

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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