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CAS 338950-86-0 4,4′-DIPYRIDYL N,N’-DIOXIDE HYDRATE molecular structure lightbox
CAS RN: 338950-86-0

4,4′-DIPYRIDYL N,N’-DIOXIDE HYDRATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260531 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS338950-86-0
  • Purity/Analytical Methods: >99.0%
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338950-86-0 / 4-(1-oxido-4-pyridinylidene)pyridin-1-ium 1-oxide;hydrate

Standard CAS: 338950-86-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
338950-86-0
Multi CAS
Yes
Molecular Formula
C10H10N2O3
Molecular Weight
206.200000
Exact Mass
206.069142
InChI
InChI=1S/C10H8N2O2.H2O/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h1-8H;1H2
InChIKey
WGMXNNUHJLHXQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.03
TPSA
77.88

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1.12
Consensus LogP
1.08
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

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

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