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CAS 101991-76-8 2-(2,4-Dichlorophenoxy)-1-(1-piperidyl)-1-propanone molecular structure lightbox
CAS RN: 101991-76-8

2-(2,4-Dichlorophenoxy)-1-(1-piperidyl)-1-propanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 50mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-003154
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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: 0.25g, 0.1g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 101991-76-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

101991-76-8 / 2-(2,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one

2-(2,4-Dichlorophenoxy)-1-(1-piperidyl)-1-propanone | 2-(2,4-dichlorophenoxy)-1-(piperidin-1-yl)propan-1-one | MFCD01339369

Standard CAS: 101991-76-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101991-76-8
Multi CAS
Yes
Molecular Formula
C14H17Cl2NO2
Molecular Weight
302.200000
Exact Mass
301.063634
SMILES
CC(C(=O)N1CCCCC1)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H17Cl2NO2/c1-10(14(18)17-7-3-2-4-8-17)19-13-6-5-11(15)9-12(13)16/h5-6,9-10H,2-4,7-8H2,1H3
InChIKey
KQSVEWNCWPLKQV-UHFFFAOYSA-N
Synonyms
2-(2,4-Dichlorophenoxy)-1-(1-piperidyl)-1-propanone 2-(2,4-dichlorophenoxy)-1-(piperidin-1-yl)propan-1-one MFCD01339369 C14H17Cl2NO2 2-(2,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
76.98
TPSA
29.54

LogP / Solubility

WLOGP
3.77
MLOGP
3.33
XLogP3
4.2
Consensus LogP
3.77
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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