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CAS 74684-35-8 5,10,15,20-tetra(3,4,5-trimethoxyphenyl)-21H,23H-porphyrin molecular structure lightbox
CAS RN: 74684-35-8

5,10,15,20-tetra(3,4,5-trimethoxyphenyl)-21H,23H-porphyrin

  • Product code: SSC-184145
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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: 0.1g, 0.25g, 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 74684-35-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

74684-35-8 / 5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)-21,23-dihydroporphyrin

Standard CAS: 74684-35-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74684-35-8
Multi CAS
Yes
Molecular Formula
C56H54N4O12
Molecular Weight
975.000000
Exact Mass
974.373823
InChI
InChI=1S/C56H54N4O12/c1-61-41-21-29(22-42(62-2)53(41)69-9)49-33-13-15-35(57-33)50(30-23-43(63-3)54(70-10)44(24-30)64-4)37-17-19-39(59-37)52(32-27-47(67-7)56(72-12)48(28-32)68-8)40-20-18-38(60-40)51(36-16-14-34(49)58-36)31-25-45(65-5)55(71-11)46(26-31)66-6/h13-28,57,60H,1-12H3
InChIKey
WVYQOJACJYPRCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
72
Aromatic heavy atom count
44
Fraction Csp3
0.21
Rotatable bonds
16
H-bond acceptors
14
H-bond donors
2
Molar refractivity
279.23
TPSA
168.12

LogP / Solubility

WLOGP
11.43
MLOGP
10.15
XLogP3
10.1
Consensus LogP
10.56
Log S (ESOL)
-12.48
Class (ESOL)
Insoluble
Log S (Ali)
-15.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.4
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)
-0.55

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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