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CAS 220654-99-9 4-Pyridinecarboxylic acid, 2-[(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)sulfonyl]hydrazide molecular structure lightbox
CAS RN: 220654-99-9

4-Pyridinecarboxylic acid, 2-[(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)sulfonyl]hydrazide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260408 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS220654-99-9
  • Purity/Analytical Methods: >99.0%
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220654-99-9 / N'-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]pyridine-4-carbohydrazide

Standard CAS: 220654-99-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220654-99-9
Multi CAS
No
Molecular Formula
C11H11N5O5S
Molecular Weight
325.300000
Exact Mass
325.048090
SMILES
CC1=C(C(=O)NC(=O)N1)S(=O)(=O)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C11H11N5O5S/c1-6-8(10(18)14-11(19)13-6)22(20,21)16-15-9(17)7-2-4-12-5-3-7/h2-5,16H,1H3,(H,15,17)(H2,13,14,18,19)
InChIKey
WMPAXWJRRGZHCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
74.45
TPSA
153.88

LogP / Solubility

WLOGP
-1.61
MLOGP
-1.4
XLogP3
-0.8
Consensus LogP
-1.27
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.92
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)
-5.85

Drug-likeness / Medicinal Chemistry

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

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