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CAS 881-83-4 3-(Dimethylamino)-4′-bromopropiophenone Hydrochloride molecular structure lightbox
CAS RN: 881-83-4

3-(Dimethylamino)-4′-bromopropiophenone Hydrochloride

  • Product code: SSC-198545
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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: ＞97%
  • 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 881-83-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

881-83-4 / 1-(4-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride

Standard CAS: 881-83-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881-83-4
Multi CAS
No
Molecular Formula
C11H15BRCLNO
Molecular Weight
292.600000
Exact Mass
291.002550
InChI
InChI=1S/C11H14BrNO.ClH/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9;/h3-6H,7-8H2,1-2H3;1H
InChIKey
YFGCMCARGFWPJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.89
TPSA
20.31

LogP / Solubility

WLOGP
3.01
MLOGP
2.66
XLogP3
3.01
Consensus LogP
2.89
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

Drug-likeness / Medicinal Chemistry

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

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