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CAS 68052-43-7 5-hydroxyisophthaldiamide molecular structure lightbox
CAS RN: 68052-43-7

5-hydroxyisophthaldiamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250712 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS68052-43-7
  • Purity/Analytical Methods: >99.0%
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68052-43-7 / 5-hydroxybenzene-1,3-dicarboxamide

Standard CAS: 68052-43-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68052-43-7
Multi CAS
Yes
Molecular Formula
C8H8N2O3
Molecular Weight
180.160000
Exact Mass
180.053492
InChI
InChI=1S/C8H8N2O3/c9-7(12)4-1-5(8(10)13)3-6(11)2-4/h1-3,11H,(H2,9,12)(H2,10,13)
InChIKey
DAKUZVFMMZMWMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
45.14
TPSA
106.41

LogP / Solubility

WLOGP
-0.41
MLOGP
-0.36
XLogP3
-0.7
Consensus LogP
-0.49
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.73
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.11

Drug-likeness / Medicinal Chemistry

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

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