[email protected]
CAS 188444-66-8 N-[2-(Naphthalen-2-yloxy)ethyl]-4-nitrobenzenesulfonamide molecular structure lightbox
CAS RN: 188444-66-8

N-[2-(Naphthalen-2-yloxy)ethyl]-4-nitrobenzenesulfonamide

  • Product code: SSC-087689
GET A QUOTE
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, 10g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 188444-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 2 In Stock Hong Kong Inquiry
0.25g ≥97% 2 In Stock Hong Kong Inquiry
1g ≥97% 2 In Stock Shanghai Inquiry
5g ≥97% 2 In Stock Beijing Inquiry
10g ≥97% 2 In Stock Hong Kong Inquiry

188444-66-8 / N-(2-naphthalen-2-yloxyethyl)-4-nitrobenzenesulfonamide

Standard CAS: 188444-66-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188444-66-8
Multi CAS
No
Molecular Formula
C18H16N2O5S
Molecular Weight
372.400000
Exact Mass
372.077993
SMILES
C1=CC=C2C=C(C=CC2=C1)OCCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H16N2O5S/c21-20(22)16-6-9-18(10-7-16)26(23,24)19-11-12-25-17-8-5-14-3-1-2-4-15(14)13-17/h1-10,13,19H,11-12H2
InChIKey
XOZSYALANRRSLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
97.73
TPSA
98.54

LogP / Solubility

WLOGP
3.11
MLOGP
2.75
XLogP3
3.6
Consensus LogP
3.15
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79

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
2.5

Customers Also Viewed

Get In Touch

Contact Us