[email protected]
CAS 1190-91-6 3-Buten-2-one, 4-(dimethylamino)- (6CI,7CI,8CI,9CI) molecular structure lightbox
CAS RN: 1190-91-6

3-Buten-2-one, 4-(dimethylamino)- (6CI,7CI,8CI,9CI)

  • Product code: SSC-019267
GET A QUOTE
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
Request Bulk Quote

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 1190-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

1190-91-6 / 4-(dimethylamino)but-3-en-2-one

4-(dimethylamino)but-3-en-2-one | DTXSID90922848 | RefChem:1070109

Standard CAS: 1190-91-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1190-91-6
Multi CAS
Yes
Molecular Formula
C6H11NO
Molecular Weight
113.160000
Exact Mass
113.084064
SMILES
CC(=O)C=CN(C)C
InChI
InChI=1S/C6H11NO/c1-6(8)4-5-7(2)3/h4-5H,1-3H3
InChIKey
QPWSKIGAQZAJKS-UHFFFAOYSA-N
Synonyms
4-(dimethylamino)but-3-en-2-one DTXSID90922848 RefChem:1070109 DTXCID001351721 3-Buten-2-one, 4-(dimethylamino)-, (3Z)-

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
33.51
TPSA
20.31

LogP / Solubility

WLOGP
0.65
MLOGP
0.56
XLogP3
0.3
Consensus LogP
0.5
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.18
Class (SILICOS-IT)
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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us