CAS RN: 5468-37-1
2-Aminoacetophenone hydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-162484
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: 1g, 5g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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5468-37-1 / phenacylazanium chloride
Basic Information
CAS
5468-37-1
Multi CAS
Yes
Molecular Formula
C8H10CLNO
Molecular Weight
171.620000
Exact Mass
171.045092
InChI
InChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H
InChIKey
CVXGFPPAIUELDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.53
TPSA
44.71
LogP / Solubility
WLOGP
-2.88
MLOGP
-2.54
XLogP3
-2.88
Consensus LogP
-2.77
Log S (ESOL)
0.64
Class (ESOL)
Highly soluble
Log S (Ali)
1.12
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.38
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
