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CAS 145362-97-6 21H,23H-Porphine,5,10,15,20-tetrakis[4-[2-(trimethylsilyl)ethynyl]phenyl]- molecular structure lightbox
CAS RN: 145362-97-6

21H,23H-Porphine,5,10,15,20-tetrakis[4-[2-(trimethylsilyl)ethynyl]phenyl]-

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250811 100mg Out of stock Inquiry
Batchno.20260307 250mg Out of stock Inquiry
Batchno.20250504 50mg Out of stock Inquiry
  • Product code: SSC-056704
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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 145362-97-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

145362-97-6 / trimethyl-[2-[4-[10,15,20-tris[4-(2-trimethylsilylethynyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]ethynyl]silane

Standard CAS: 145362-97-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145362-97-6
Multi CAS
No
Molecular Formula
C64H62N4Si4
Molecular Weight
999.500000
Exact Mass
998.405154
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#C[Si](C)(C)C)C8=CC=C(C=C8)C#C[Si](C)(C)C)C=C4)C9=CC=C(C=C9)C#C[Si](C)(C)C)N3
InChI
InChI=1S/C64H62N4Si4/c1-69(2,3)41-37-45-13-21-49(22-14-45)61-53-29-31-55(65-53)62(50-23-15-46(16-24-50)38-42-70(4,5)6)57-33-35-59(67-57)64(52-27-19-48(20-28-52)40-44-72(10,11)12)60-36-34-58(68-60)63(56-32-30-54(61)66-56)51-25-17-47(18-26-51)39-43-71(7,8)9/h13-36,65,68H,1-12H3
InChIKey
VJWXVQPJMRXOMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
72
Aromatic heavy atom count
44
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
321.5
TPSA
57.36

LogP / Solubility

WLOGP
16.24
MLOGP
14.39
XLogP3
16.24
Consensus LogP
15.62
Log S (ESOL)
-16.46
Class (ESOL)
Insoluble
Log S (Ali)
-19.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.12
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)
2.71

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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