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CAS 1890299-47-4 potassium 7-nitro-2-oxo-2H-chromene-3-carboxylate molecular structure lightbox
CAS RN: 1890299-47-4

potassium 7-nitro-2-oxo-2H-chromene-3-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1890299-47-4
  • Purity/Analytical Methods: >99.0%
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1890299-47-4 / potassium 7-nitro-2-oxochromene-3-carboxylate

Standard CAS: 1890299-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1890299-47-4
Multi CAS
No
Molecular Formula
C10H4KNO6
Molecular Weight
273.240000
Exact Mass
272.967568
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)C(=C2)C(=O)[O-].[K+]
InChI
InChI=1S/C10H5NO6.K/c12-9(13)7-3-5-1-2-6(11(15)16)4-8(5)17-10(7)14;/h1-4H,(H,12,13);/q;+1/p-1
InChIKey
CZIRCEUETYJAPG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
53.47
TPSA
113.48

LogP / Solubility

WLOGP
-2.93
MLOGP
-2.57
XLogP3
-2.93
Consensus LogP
-2.81
Log S (ESOL)
0.03
Class (ESOL)
Highly soluble
Log S (Ali)
0.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.76
Class (SILICOS-IT)
Highly 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)
-6.47

Drug-likeness / Medicinal Chemistry

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

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