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CAS 133387-34-5 2,4-DiMorpholinonitrobenzene molecular structure lightbox
CAS RN: 133387-34-5

2,4-DiMorpholinonitrobenzene

  • Product code: SSC-040077
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 133387-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry

133387-34-5 / 4-(3-morpholin-4-yl-4-nitrophenyl)morpholine

Standard CAS: 133387-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133387-34-5
Multi CAS
No
Molecular Formula
C14H19N3O4
Molecular Weight
293.320000
Exact Mass
293.137556
SMILES
C1COCCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3
InChI
InChI=1S/C14H19N3O4/c18-17(19)13-2-1-12(15-3-7-20-8-4-15)11-14(13)16-5-9-21-10-6-16/h1-2,11H,3-10H2
InChIKey
JHXWNZPLYVFBSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
79.16
TPSA
68.08

LogP / Solubility

WLOGP
1.27
MLOGP
1.13
XLogP3
1.2
Consensus LogP
1.2
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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