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CAS 1798-83-0 1-(4-CHLOROPHENYL)-3-(DIMETHYLAMINO)PROPAN-1-ONE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1798-83-0

1-(4-CHLOROPHENYL)-3-(DIMETHYLAMINO)PROPAN-1-ONE HYDROCHLORIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251119 1g In stock Inquiry
Batchno.20260227 250mg In stock Inquiry
Batchno.20250902 5g In stock Inquiry
  • Product code: SSC-080119
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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, 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 1798-83-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry

1798-83-0 / 1-(4-chlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride

Standard CAS: 1798-83-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1798-83-0
Multi CAS
No
Molecular Formula
C11H15Cl2NO
Molecular Weight
248.150000
Exact Mass
247.053070
SMILES
CN(C)CCC(=O)C1=CC=C(C=C1)Cl.Cl
InChI
InChI=1S/C11H14ClNO.ClH/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9;/h3-6H,7-8H2,1-2H3;1H
InChIKey
MQURAWQCJQTMJM-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
66.2
TPSA
20.31

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
2.9
Consensus LogP
2.78
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

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

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