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CAS 50849-45-1 meso-Tetra(3-methylphenyl) porphine molecular structure lightbox
CAS RN: 50849-45-1

meso-Tetra(3-methylphenyl) porphine

  • Product code: SSC-157602
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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 50849-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

50849-45-1 / 5,10,15,20-tetrakis(3-methylphenyl)-21,22-dihydroporphyrin

Standard CAS: 50849-45-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50849-45-1
Multi CAS
Yes
Molecular Formula
C48H38N4
Molecular Weight
670.800000
Exact Mass
670.309647
InChI
InChI=1S/C48H38N4/c1-29-9-5-13-33(25-29)45-37-17-19-39(49-37)46(34-14-6-10-30(2)26-34)41-21-23-43(51-41)48(36-16-8-12-32(4)28-36)44-24-22-42(52-44)47(40-20-18-38(45)50-40)35-15-7-11-31(3)27-35/h5-28,49,52H,1-4H3
InChIKey
VTJYAROBIDZWEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
44
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
219.55
TPSA
57.36

LogP / Solubility

WLOGP
12.56
MLOGP
11.11
XLogP3
11.9
Consensus LogP
11.86
Log S (ESOL)
-12.27
Class (ESOL)
Insoluble
Log S (Ali)
-14.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.92
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)
2.1

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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