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CAS 791803-08-2 3-amino-4-chloro-N-(2-ethoxyphenyl)benzamide molecular structure lightbox
CAS RN: 791803-08-2

3-amino-4-chloro-N-(2-ethoxyphenyl)benzamide

  • Product code: SSC-188414
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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
  • 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 791803-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry

791803-08-2 / 3-amino-4-chloro-N-(2-ethoxyphenyl)benzamide

Standard CAS: 791803-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
791803-08-2
Multi CAS
No
Molecular Formula
C15H15CLN2O2
Molecular Weight
290.740000
Exact Mass
290.082205
InChI
InChI=1S/C15H15ClN2O2/c1-2-20-14-6-4-3-5-13(14)18-15(19)10-7-8-11(16)12(17)9-10/h3-9H,2,17H2,1H3,(H,18,19)
InChIKey
SYFRGDSVFYUJFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
81.43
TPSA
64.35

LogP / Solubility

WLOGP
3.57
MLOGP
3.16
XLogP3
3
Consensus LogP
3.24
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

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
1.5

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