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CAS 947888-99-5 2,4-Dichloro-N-(2-hydroxypropyl)benzaMide molecular structure lightbox
CAS RN: 947888-99-5

2,4-Dichloro-N-(2-hydroxypropyl)benzaMide

  • Product code: SSC-209988
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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: >97%
  • Inventory rows with stock: 2
  • 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 947888-99-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

947888-99-5 / 2,4-dichloro-N-(2-hydroxypropyl)benzamide

Standard CAS: 947888-99-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
947888-99-5
Multi CAS
No
Molecular Formula
C10H11CL2NO2
Molecular Weight
248.100000
Exact Mass
247.016684
InChI
InChI=1S/C10H11Cl2NO2/c1-6(14)5-13-10(15)8-3-2-7(11)4-9(8)12/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKey
SVIDSEZTCSYHJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.48
TPSA
49.33

LogP / Solubility

WLOGP
2.1
MLOGP
1.86
XLogP3
2.2
Consensus LogP
2.05
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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