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CAS 29114-93-0 meso-tetrakis(3-methoxyphenyl)porphyrin molecular structure lightbox
CAS RN: 29114-93-0

meso-tetrakis(3-methoxyphenyl)porphyrin

  • Product code: SSC-131342
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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 29114-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

29114-93-0 / 5,10,15,20-tetrakis(3-methoxyphenyl)-21,22-dihydroporphyrin

Standard CAS: 29114-93-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29114-93-0
Multi CAS
Yes
Molecular Formula
C48H38N4O4
Molecular Weight
734.800000
Exact Mass
734.289306
InChI
InChI=1S/C48H38N4O4/c1-53-33-13-5-9-29(25-33)45-37-17-19-39(49-37)46(30-10-6-14-34(26-30)54-2)41-21-23-43(51-41)48(32-12-8-16-36(28-32)56-4)44-24-22-42(52-44)47(40-20-18-38(45)50-40)31-11-7-15-35(27-31)55-3/h5-28,49-50H,1-4H3
InChIKey
CMMVKJJNQPURBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
44
Fraction Csp3
0.08
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
226.81
TPSA
94.28

LogP / Solubility

WLOGP
11.36
MLOGP
10.06
XLogP3
10.3
Consensus LogP
10.57
Log S (ESOL)
-11.61
Class (ESOL)
Insoluble
Log S (Ali)
-13.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.82
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)
0.86

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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