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CAS 852982-57-1 21H,23H-Porphine, 5,10,15,20-tetrakis(5-bromo-2-thienyl)- molecular structure lightbox
CAS RN: 852982-57-1

21H,23H-Porphine, 5,10,15,20-tetrakis(5-bromo-2-thienyl)-

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250705 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 100mg Out of stock Inquiry
Batchno.20250429 1g Out of stock Inquiry
Batchno.20251127 250mg Out of stock Inquiry
  • Product code: SSC-193642
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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 852982-57-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

852982-57-1 / 5,10,15,20-tetrakis(5-bromothiophen-2-yl)-21,23-dihydroporphyrin

Standard CAS: 852982-57-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
852982-57-1
Multi CAS
No
Molecular Formula
C36H18BR4N4S4
Molecular Weight
954.400000
Exact Mass
953.710680
InChI
InChI=1S/C36H18Br4N4S4/c37-29-13-9-25(45-29)33-17-1-2-18(41-17)34(26-10-14-30(38)46-26)20-5-6-22(43-20)36(28-12-16-32(40)48-28)24-8-7-23(44-24)35(21-4-3-19(33)42-21)27-11-15-31(39)47-27/h1-16,41,44H
InChIKey
CBZURLSESZUTIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
40
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
222.91
TPSA
57.36

LogP / Solubility

WLOGP
14.62
MLOGP
12.96
XLogP3
13.4
Consensus LogP
13.66
Log S (ESOL)
-15.32
Class (ESOL)
Insoluble
Log S (Ali)
-17.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.48
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)
1.84

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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