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CAS 136847-29-5 N,N’-DI(PYRID-4-YL)-PERYLENTETRACARBONIC ACID, DIAMIDE molecular structure lightbox
CAS RN: 136847-29-5

N,N’-DI(PYRID-4-YL)-PERYLENTETRACARBONIC ACID, DIAMIDE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250331 100mg In stock Shanghai Inquiry
Batchno.20250915 1g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260531 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 100mg In stock Shanghai, Shandong Inquiry
Batchno.20250602 250mg In stock Shandong Inquiry
  • Product code: LINN887216
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136847-29-5 / 7,18-dipyridin-4-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

Standard CAS: 136847-29-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136847-29-5
Multi CAS
No
Molecular Formula
C34H16N4O4
Molecular Weight
544.500000
Exact Mass
544.117155
SMILES
C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)C8=CC=NC=C8)C(=O)N(C2=O)C9=CC=NC=C9
InChI
InChI=1S/C34H16N4O4/c39-31-23-5-1-19-20-2-6-25-30-26(34(42)38(33(25)41)18-11-15-36-16-12-18)8-4-22(28(20)30)21-3-7-24(29(23)27(19)21)32(40)37(31)17-9-13-35-14-10-17/h1-16H
InChIKey
FNHCNEJUZBOMQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
32
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
158.41
TPSA
100.54

LogP / Solubility

WLOGP
6.13
MLOGP
5.43
XLogP3
4.7
Consensus LogP
5.42
Log S (ESOL)
-7.51
Class (ESOL)
Insoluble
Log S (Ali)
-8.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.69

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
7

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