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CAS 15722-48-2 5,5′-(Diazene-1,2-diyl)bis(2-hydroxybenzoic acid) molecular structure lightbox
CAS RN: 15722-48-2

5,5′-(Diazene-1,2-diyl)bis(2-hydroxybenzoic acid)

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250605 100mg In stock Shanghai Inquiry
Batchno.20250924 1g In stock Shanghai Inquiry
Batchno.20251027 250mg In stock Shanghai Inquiry
Batchno.20260210 50mg In stock Shanghai Inquiry
  • Product code: LIND914104
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15722-48-2 / 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid

Standard CAS: 15722-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15722-48-2
Multi CAS
No
Molecular Formula
C14H10N2O6
Molecular Weight
302.240000
Exact Mass
302.053886
SMILES
C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
InChI
InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)
InChIKey
QQBDLJCYGRGAKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
74.31
TPSA
139.78

LogP / Solubility

WLOGP
2.91
MLOGP
2.57
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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