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CAS 1156583-05-9 2-(2-HYDROXYETHYLAMINO)-N-(4-BROMOPHENYL)ACETAMIDE molecular structure lightbox
CAS RN: 1156583-05-9

2-(2-HYDROXYETHYLAMINO)-N-(4-BROMOPHENYL)ACETAMIDE

  • Product code: SSC-015427
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1156583-05-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1156583-05-9 / N-(4-bromophenyl)-2-(2-hydroxyethylamino)acetamide

2-(2-Hydroxyethylamino)-N-(4-bromophenyl)acetamide | N-(4-Bromophenyl)-2-((2-hydroxyethyl)amino)acetamide | MFCD09037907

Standard CAS: 1156583-05-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1156583-05-9
Multi CAS
No
Molecular Formula
C10H13BrN2O2
Molecular Weight
273.130000
Exact Mass
272.016040
SMILES
C1=CC(=CC=C1NC(=O)CNCCO)Br
InChI
InChI=1S/C10H13BrN2O2/c11-8-1-3-9(4-2-8)13-10(15)7-12-5-6-14/h1-4,12,14H,5-7H2,(H,13,15)
InChIKey
CMLVSMYXHJMJJY-UHFFFAOYSA-N
Synonyms
2-(2-Hydroxyethylamino)-N-(4-bromophenyl)acetamide N-(4-Bromophenyl)-2-((2-hydroxyethyl)amino)acetamide MFCD09037907 N-(4-BROMOPHENYL)-2-[(2-HYDROXYETHYL)AMINO]ACETAMIDE AB2866

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
62.73
TPSA
61.36

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
0.7
Consensus LogP
0.84
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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