![CAS 147951-43-7 Phenol, 4-[10,15,20-tris(4-bromophenyl)-21H,23H-porphin-5-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147951-43-7.gif)
CAS RN: 147951-43-7
Phenol, 4-[10,15,20-tris(4-bromophenyl)-21H,23H-porphin-5-yl]-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250926 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251104 | 1g | In stock | Tianjin | Inquiry | |
| Batchno.20260226 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250918 | 50mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251024 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS147951-43-7
- Purity/Analytical Methods: >99.0%
147951-43-7 / 4-[10,15,20-tris(4-bromophenyl)-21,23-dihydroporphyrin-5-yl]phenol
Basic Information
CAS
147951-43-7
Multi CAS
No
Molecular Formula
C44H27Br3N4O
Molecular Weight
867.400000
Exact Mass
865.971450
SMILES
C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Br)C8=CC=C(C=C8)Br)C=C4)C9=CC=C(C=C9)Br)N3)O
InChI
InChI=1S/C44H27Br3N4O/c45-29-9-1-25(2-10-29)41-33-17-19-35(48-33)42(26-3-11-30(46)12-4-26)37-21-23-39(50-37)44(28-7-15-32(52)16-8-28)40-24-22-38(51-40)43(36-20-18-34(41)49-36)27-5-13-31(47)14-6-27/h1-24,48,51-52H
InChIKey
MSDLEIPMURZRMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
225.37
TPSA
77.59
LogP / Solubility
WLOGP
13.32
MLOGP
11.8
XLogP3
12.1
Consensus LogP
12.41
Log S (ESOL)
-13.97
Class (ESOL)
Insoluble
Log S (Ali)
-16.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.83
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)
1.44
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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