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CAS 72076-09-6 5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-2 molecular structure lightbox
CAS RN: 72076-09-6

5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-2

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250710 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS72076-09-6
  • Purity/Analytical Methods: >99.0%
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72076-09-6 / palladium(2+);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)porphyrin-22,24-diide

Standard CAS: 72076-09-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72076-09-6
Multi CAS
Yes
Molecular Formula
C44H8F20N4PD
Molecular Weight
1078.900000
Exact Mass
1077.946440
InChI
InChI=1S/C44H8F20N4.Pd/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50;/h1-8H;/q-2;+2
InChIKey
GRRRJZUTYPIXFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
69
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
197.7
TPSA
53.98

LogP / Solubility

WLOGP
13.36
MLOGP
11.86
XLogP3
13.36
Consensus LogP
12.86
Log S (ESOL)
-15.16
Class (ESOL)
Insoluble
Log S (Ali)
-18.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.24
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)
0.18

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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