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CAS 151256-86-9 5,15-dibromo-10,20-diphenylporphine molecular structure lightbox
CAS RN: 151256-86-9

5,15-dibromo-10,20-diphenylporphine

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 100mg In stock Shanghai Inquiry
Batchno.20260110 1g In stock Shanghai Inquiry
Batchno.20250816 250mg In stock Shanghai Inquiry
Batchno.20250614 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS151256-86-9
  • Purity/Analytical Methods: >99.0%
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151256-86-9 / 5,15-dibromo-10,20-diphenyl-21,22-dihydroporphyrin

Standard CAS: 151256-86-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151256-86-9
Multi CAS
No
Molecular Formula
C32H20Br2N4
Molecular Weight
620.300000
Exact Mass
620.003420
SMILES
C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)Br)C7=CC=CC=C7)Br)N3
InChI
InChI=1S/C32H20Br2N4/c33-31-25-15-11-21(35-25)29(19-7-3-1-4-8-19)22-12-16-26(36-22)32(34)28-18-14-24(38-28)30(20-9-5-2-6-10-20)23-13-17-27(31)37-23/h1-18,35,37H
InChIKey
XBGDWJTUQWOPHM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
32
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
165.13
TPSA
57.36

LogP / Solubility

WLOGP
9.51
MLOGP
8.42
XLogP3
8.5
Consensus LogP
8.81
Log S (ESOL)
-10.17
Class (ESOL)
Insoluble
Log S (Ali)
-11.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.83
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)
0.25

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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