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CAS 68772-71-4 21H,23H-Porphine, 5,10,15,20-tetrakis(3-bromophenyl)- molecular structure lightbox
CAS RN: 68772-71-4

21H,23H-Porphine, 5,10,15,20-tetrakis(3-bromophenyl)-

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251105 100mg In stock Tianjin, Chengdu Inquiry
Batchno.20250812 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20260307 1g Out of stock Inquiry
Batchno.20250806 250mg In stock Tianjin Inquiry
  • Product code: SSC-178456
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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 68772-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

68772-71-4 / 5,10,15,20-tetrakis(3-bromophenyl)-21,23-dihydroporphyrin

Standard CAS: 68772-71-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68772-71-4
Multi CAS
Yes
Molecular Formula
C44H26BR4N4
Molecular Weight
930.300000
Exact Mass
929.885000
InChI
InChI=1S/C44H26Br4N4/c45-29-9-1-5-25(21-29)41-33-13-15-35(49-33)42(26-6-2-10-30(46)22-26)37-17-19-39(51-37)44(28-8-4-12-32(48)24-28)40-20-18-38(52-40)43(36-16-14-34(41)50-36)27-7-3-11-31(47)23-27/h1-24,49,52H
InChIKey
DIYJFQVQTQAXTO-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
231.4
TPSA
57.36

LogP / Solubility

WLOGP
14.37
MLOGP
12.74
XLogP3
13.2
Consensus LogP
13.44
Log S (ESOL)
-15.03
Class (ESOL)
Insoluble
Log S (Ali)
-17.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.12
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)
1.81

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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