CAS RN: 34066-75-6
N,N’-bis(4-aMinophenyl)benzene-1,4-dicarboxaMide
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
| Batchno.20260531 |
100mg / 250mg / 1g |
Confirm by inquiry |
Shanghai | 5-7 business days | Inquiry |
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Product code:
starshine_CAS34066-75-6
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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