CAS RN: 34066-75-6

N,N’-bis(4-aMinophenyl)benzene-1,4-dicarboxaMide

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260531 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS34066-75-6
  • Purity/Analytical Methods: >99.0%
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34066-75-6 / 1-N,4-N-bis(4-aminophenyl)benzene-1,4-dicarboxamide

Standard CAS: 34066-75-6 Multi CAS: Yes

Basic Information

CAS
34066-75-6
Multi CAS
Yes
Molecular Formula
C20H18N4O2
Molecular Weight
346.400000
Exact Mass
346.142976
InChI
InChI=1S/C20H18N4O2/c21-15-5-9-17(10-6-15)23-19(25)13-1-2-14(4-3-13)20(26)24-18-11-7-16(22)8-12-18/h1-12H,21-22H2,(H,23,25)(H,24,26)
InChIKey
RPOHXHHHVSGUMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
104.06
TPSA
110.24

LogP / Solubility

WLOGP
3.36
MLOGP
2.97
XLogP3
2.2
Consensus LogP
2.84
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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