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CAS 25186-28-1 5,10,15,20-tetra(2-hydroxyphenyl)porphyrin molecular structure lightbox
CAS RN: 25186-28-1

5,10,15,20-tetra(2-hydroxyphenyl)porphyrin

  • Product code: SSC-120871
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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 25186-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

25186-28-1 / (6Z)-6-[(10Z,14Z,20E)-10,15-bis(2-hydroxyphenyl)-20-(6-oxocyclohexa-2,4-dien-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]cyclohexa-2,4-dien-1-one

Standard CAS: 25186-28-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25186-28-1
Multi CAS
No
Molecular Formula
C44H30N4O4
Molecular Weight
678.700000
Exact Mass
678.226705
SMILES
C1=CC=C(C(=C1)/C/2=C/3\C=C/C(=C(/C4=CC=C(N4)/C(=C\5/C=CC=CC5=O)/C6=CC=C(N6)/C(=C\7/C=CC=CC7=O)/C8=CC=C2N8)\C9=CC=CC=C9O)/N3)O
InChI
InChI=1S/C44H30N4O4/c49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51/h1-24,45,48-52H
InChIKey
RHBJMYOTXIENOZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
32
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
6
Molar refractivity
200.48
TPSA
137.76

LogP / Solubility

WLOGP
6.21
MLOGP
5.52
XLogP3
6.2
Consensus LogP
5.98
Log S (ESOL)
-8.29
Class (ESOL)
Insoluble
Log S (Ali)
-9.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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