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CAS 110452-48-7 Meso-Tetra(4-tert-butylphenyl) Porphine molecular structure lightbox
CAS RN: 110452-48-7

Meso-Tetra(4-tert-butylphenyl) Porphine

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 100mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251006 1g In stock Tianjin Inquiry
Batchno.20250804 250mg In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260121 50mg In stock Tianjin Inquiry
  • Product code: SSC-011521
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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 110452-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

110452-48-7 / 5,10,15,20-tetrakis(4-tert-butylphenyl)-21,23-dihydroporphyrin

meso-Tetra(4-tert-butylphenyl) Porphyrin

Standard CAS: 110452-48-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110452-48-7
Multi CAS
Yes
Molecular Formula
C60H62N4
Molecular Weight
839.200000
Exact Mass
838.497448
SMILES
CC(C)(C)C1=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)(C)C)C8=CC=C(C=C8)C(C)(C)C)C=C4)C9=CC=C(C=C9)C(C)(C)C)N3
InChI
InChI=1S/C60H62N4/c1-57(2,3)41-21-13-37(14-22-41)53-45-29-31-47(61-45)54(38-15-23-42(24-16-38)58(4,5)6)49-33-35-51(63-49)56(40-19-27-44(28-20-40)60(10,11)12)52-36-34-50(64-52)55(48-32-30-46(53)62-48)39-17-25-43(26-18-39)59(7,8)9/h13-36,61,64H,1-12H3
InChIKey
TUYJGWWPMWEZSJ-UHFFFAOYSA-N
Synonyms
meso-Tetra(4-tert-butylphenyl) Porphyrin

Computed Properties

Structural Parameters

Heavy atom count
64
Aromatic heavy atom count
44
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
275.4
TPSA
57.36

LogP / Solubility

WLOGP
16.51
MLOGP
14.61
XLogP3
17.1
Consensus LogP
16.07
Log S (ESOL)
-15.69
Class (ESOL)
Insoluble
Log S (Ali)
-18.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.3
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)
3.89

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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