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CAS 488847-28-5 2-[(3,4-Dihydro-2-phenyl-2H-1-benzopyran-6-yl)oxy]-5-nitro-pyridine molecular structure lightbox
CAS RN: 488847-28-5

2-[(3,4-Dihydro-2-phenyl-2H-1-benzopyran-6-yl)oxy]-5-nitro-pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 5mg / 10mg / 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS488847-28-5
  • Purity/Analytical Methods: >99.0%
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488847-28-5 / 5-nitro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridine

Standard CAS: 488847-28-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
488847-28-5
Multi CAS
No
Molecular Formula
C20H16N2O4
Molecular Weight
348.400000
Exact Mass
348.111007
InChI
InChI=1S/C20H16N2O4/c23-22(24)16-7-11-20(21-13-16)25-17-8-10-19-15(12-17)6-9-18(26-19)14-4-2-1-3-5-14/h1-5,7-8,10-13,18H,6,9H2
InChIKey
GZONLGPIHCCJOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
95.54
TPSA
74.49

LogP / Solubility

WLOGP
4.85
MLOGP
4.28
XLogP3
4.4
Consensus LogP
4.51
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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