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CAS 90322-49-9 8-Nitro-4-chromanone molecular structure lightbox
CAS RN: 90322-49-9

8-Nitro-4-chromanone

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250702 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS90322-49-9
  • Purity/Analytical Methods: >99.0%
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90322-49-9 / 8-nitro-2,3-dihydrochromen-4-one

Standard CAS: 90322-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90322-49-9
Multi CAS
No
Molecular Formula
C9H7NO4
Molecular Weight
193.160000
Exact Mass
193.037508
InChI
InChI=1S/C9H7NO4/c11-8-4-5-14-9-6(8)2-1-3-7(9)10(12)13/h1-3H,4-5H2
InChIKey
MXMKEUBEHSMVOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
47.54
TPSA
69.44

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
1.2
Consensus LogP
1.38
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.79

Drug-likeness / Medicinal Chemistry

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

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