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CAS 89372-90-7 meso-tetra-(3,5-di-t-butylphenyl)porphine molecular structure lightbox
CAS RN: 89372-90-7

meso-tetra-(3,5-di-t-butylphenyl)porphine

  • Product code: SSC-201296
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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 89372-90-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

89372-90-7 / 5,10,15,20-tetrakis(3,5-ditert-butylphenyl)-21,22-dihydroporphyrin

Standard CAS: 89372-90-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89372-90-7
Multi CAS
Yes
Molecular Formula
C76H94N4
Molecular Weight
1063.600000
Exact Mass
1062.747849
InChI
InChI=1S/C76H94N4/c1-69(2,3)49-33-45(34-50(41-49)70(4,5)6)65-57-25-27-59(77-57)66(46-35-51(71(7,8)9)42-52(36-46)72(10,11)12)61-29-31-63(79-61)68(48-39-55(75(19,20)21)44-56(40-48)76(22,23)24)64-32-30-62(80-64)67(60-28-26-58(65)78-60)47-37-53(73(13,14)15)43-54(38-47)74(16,17)18/h25-44,77,80H,1-24H3
InChIKey
QDJDXOLMFCSORQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
80
Aromatic heavy atom count
44
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
350.2
TPSA
57.36

LogP / Solubility

WLOGP
21.7
MLOGP
19.2
XLogP3
23.8
Consensus LogP
21.57
Log S (ESOL)
-20.25
Class (ESOL)
Insoluble
Log S (Ali)
-23.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-25.07
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)
6.2

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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