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CAS 71990-02-8 2-BroMo-N-(hydroxyMethyl)acetaMide molecular structure lightbox
CAS RN: 71990-02-8

2-BroMo-N-(hydroxyMethyl)acetaMide

  • Product code: SSC-181513
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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 71990-02-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

71990-02-8 / 2-bromo-N-(hydroxymethyl)acetamide

Standard CAS: 71990-02-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71990-02-8
Multi CAS
No
Molecular Formula
BC3H6O2Rn
Molecular Weight
167.990000
Exact Mass
166.958190
InChI
InChI=1S/C3H6BrNO2/c4-1-3(7)5-2-6/h6H,1-2H2,(H,5,7)
InChIKey
SJYLPGUDCXMZQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
29.02
TPSA
49.33

LogP / Solubility

WLOGP
-0.55
MLOGP
-0.49
XLogP3
-0.6
Consensus LogP
-0.55
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.14

Drug-likeness / Medicinal Chemistry

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

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