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CAS 20073-80-7 N,N’-dihydroxybenzene-1,4-dicarboxamide molecular structure lightbox
CAS RN: 20073-80-7

N,N’-dihydroxybenzene-1,4-dicarboxamide

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260509 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: LINN887132
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20073-80-7 / 1-N,4-N-dihydroxybenzene-1,4-dicarboxamide

Standard CAS: 20073-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20073-80-7
Multi CAS
No
Molecular Formula
C8H8N2O4
Molecular Weight
196.160000
Exact Mass
196.048407
SMILES
C1=CC(=CC=C1C(=O)NO)C(=O)NO
InChI
InChI=1S/C8H8N2O4/c11-7(9-13)5-1-2-6(4-3-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)
InChIKey
YAJCYOUHZABXFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
44.95
TPSA
98.66

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.07
XLogP3
-0.5
Consensus LogP
-0.22
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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