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CAS 119344-86-4 PI379 molecular structure lightbox
CAS RN: 119344-86-4

PI379

  • Product code: SSC-019907
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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: 25g
  • 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 119344-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

119344-86-4 / 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one

1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]- | DTXSID30869627 | 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(morpholin-4-yl)phenyl]butan-1-one

Standard CAS: 119344-86-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
119344-86-4
Multi CAS
Yes
Molecular Formula
C24H32N2O2
Molecular Weight
380.500000
Exact Mass
380.246378
SMILES
CCC(CC1=CC=C(C=C1)C)(C(=O)C2=CC=C(C=C2)N3CCOCC3)N(C)C
InChI
InChI=1S/C24H32N2O2/c1-5-24(25(3)4,18-20-8-6-19(2)7-9-20)23(27)21-10-12-22(13-11-21)26-14-16-28-17-15-26/h6-13H,5,14-18H2,1-4H3
InChIKey
PUBNJSZGANKUGX-UHFFFAOYSA-N
Synonyms
1-Butanone, 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(4-morpholinyl)phenyl]- DTXSID30869627 2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-[4-(morpholin-4-yl)phenyl]butan-1-one 1-Butanone, 2-(dimethylamino)-2-((4-methylphenyl)methyl)-1-(4-(4-morpholinyl)phenyl)- 2-(dimethylamino)-2-((4-methylphenyl)methyl)-1-(4-(morpholin-4-yl)phenyl)butan-1-one

Physical Properties

Physical Description
NKRA; Dry Powder; Water or Solvent Wet Solid; Liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
115.4
TPSA
32.78

LogP / Solubility

WLOGP
3.97
MLOGP
3.51
XLogP3
4.5
Consensus LogP
3.99
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger Warning
GHS Hazard Statements
H360Df: May damage the unborn child; Suspected of damaging fertility [Danger Reproductive toxicity] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H361 (65.6%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H361fd (32.8%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501 P203, P260, P273, P280, P318, P319, P391, P405, and P501

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