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CAS 99651-88-4 5,10,15,20-Tetrakis-(4-aminophenyl)-porphyrin-Fe-(III)chlorid molecular structure lightbox
CAS RN: 99651-88-4

5,10,15,20-Tetrakis-(4-aminophenyl)-porphyrin-Fe-(III)chlorid

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260522 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20251012 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250101 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251006 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS99651-88-4
  • Purity/Analytical Methods: >99.0%
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99651-88-4 / iron(3+);4-[10,15,20-tris(4-aminophenyl)porphyrin-22,24-diid-5-yl]aniline;chloride

Standard CAS: 99651-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99651-88-4
Multi CAS
No
Molecular Formula
C44H32CLFEN8
Molecular Weight
764.100000
Exact Mass
763.178781
InChI
InChI=1S/C44H32N8.ClH.Fe/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;;/h1-24H,45-48H2;1H;/q-2;;+3/p-1
InChIKey
OZGYLUYIRMENLZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
216.19
TPSA
158.06

LogP / Solubility

WLOGP
5.91
MLOGP
5.27
XLogP3
5.91
Consensus LogP
5.7
Log S (ESOL)
-8.64
Class (ESOL)
Insoluble
Log S (Ali)
-10.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.01
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

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

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