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CAS 937273-31-9 2-((allyloxy)Methyl)-1-(2-chloroethoxy)-4-nitrobenzene molecular structure lightbox
CAS RN: 937273-31-9

2-((allyloxy)Methyl)-1-(2-chloroethoxy)-4-nitrobenzene

  • Product code: SSC-208175
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 937273-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

937273-31-9 / 1-(2-chloroethoxy)-4-nitro-2-(prop-2-enoxymethyl)benzene

Standard CAS: 937273-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
937273-31-9
Multi CAS
No
Molecular Formula
C12H14CLNO4
Molecular Weight
271.690000
Exact Mass
271.061136
InChI
InChI=1S/C12H14ClNO4/c1-2-6-17-9-10-8-11(14(15)16)3-4-12(10)18-7-5-13/h2-4,8H,1,5-7,9H2
InChIKey
LQGMNQQLHCLEQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
69.16
TPSA
61.6

LogP / Solubility

WLOGP
2.92
MLOGP
2.57
XLogP3
2.6
Consensus LogP
2.7
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly 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)
-2.31

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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