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CAS 76372-76-4 N,N’-BIS(2,6-DIMETHYLPHENYL)PERYLENE-3,4,9,10-TETRACARBOXYLIC DIIMIDE molecular structure lightbox
CAS RN: 76372-76-4

N,N’-BIS(2,6-DIMETHYLPHENYL)PERYLENE-3,4,9,10-TETRACARBOXYLIC DIIMIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS76372-76-4
  • Purity/Analytical Methods: >99.0%
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76372-76-4 / 7,18-bis(2,6-dimethylphenyl)-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: 76372-76-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76372-76-4
Multi CAS
Yes
Molecular Formula
C40H26N2O4
Molecular Weight
598.600000
Exact Mass
598.189257
InChI
InChI=1S/C40H26N2O4/c1-19-7-5-8-20(2)35(19)41-37(43)27-15-11-23-25-13-17-29-34-30(40(46)42(39(29)45)36-21(3)9-6-10-22(36)4)18-14-26(32(25)34)24-12-16-28(38(41)44)33(27)31(23)24/h5-18H,1-4H3
InChIKey
NJOMGKAERDOZHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
32
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
181.76
TPSA
74.76

LogP / Solubility

WLOGP
8.57
MLOGP
7.59
XLogP3
8.3
Consensus LogP
8.15
Log S (ESOL)
-9.33
Class (ESOL)
Insoluble
Log S (Ali)
-10.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.91
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.29

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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