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CAS 2303-25-5 1-(3-Methylphenoxy)-4-nitrobenzene molecular structure lightbox
CAS RN: 2303-25-5

1-(3-Methylphenoxy)-4-nitrobenzene

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250803 10g Out of stock Inquiry
Batchno.20251110 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250806 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250214 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS2303-25-5
  • Purity/Analytical Methods: >99.0%
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2303-25-5 / 1-methyl-3-(4-nitrophenoxy)benzene

Standard CAS: 2303-25-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2303-25-5
Multi CAS
No
Molecular Formula
C13H11NO3
Molecular Weight
229.230000
Exact Mass
229.073893
SMILES
CC1=CC(=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11NO3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9H,1H3
InChIKey
DLKBRTKDSDXWNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
64.35
TPSA
52.37

LogP / Solubility

WLOGP
3.7
MLOGP
3.26
XLogP3
3.9
Consensus LogP
3.62
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49

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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