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CAS 76372-75-3 N N’-DIPENTYL-3 4 9 10-PERYLENEDICARBOX& molecular structure lightbox
CAS RN: 76372-75-3

N N’-DIPENTYL-3 4 9 10-PERYLENEDICARBOX&

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 100mg / 500mg / 1g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: starshine_CAS76372-75-3
  • Purity/Analytical Methods: >99.0%
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76372-75-3 / 7,18-dipentyl-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: 76372-75-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76372-75-3
Multi CAS
Yes
Molecular Formula
C34H30N2O4
Molecular Weight
530.600000
Exact Mass
530.220557
InChI
InChI=1S/C34H30N2O4/c1-3-5-7-17-35-31(37)23-13-9-19-21-11-15-25-30-26(34(40)36(33(25)39)18-8-6-4-2)16-12-22(28(21)30)20-10-14-24(32(35)38)29(23)27(19)20/h9-16H,3-8,17-18H2,1-2H3
InChIKey
JNZZCMNXYAOLTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
20
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
157.44
TPSA
74.76

LogP / Solubility

WLOGP
7.31
MLOGP
6.47
XLogP3
7.3
Consensus LogP
7.03
Log S (ESOL)
-7.58
Class (ESOL)
Insoluble
Log S (Ali)
-9.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.14
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)
-0.77

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
6

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