[email protected]
CAS 141546-96-5 Ethyl 3-(Dimethylamino)-3-ethoxy-2,2-difluoropropionate molecular structure lightbox
CAS RN: 141546-96-5

Ethyl 3-(Dimethylamino)-3-ethoxy-2,2-difluoropropionate

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250606 1g In stock Inquiry
Batchno.20250919 250mg In stock Inquiry
  • Product code: ICTD2782
  • Purity/Analytical Methods: >95.0%(N)
GET A QUOTE

141546-96-5 / ethyl 3-(dimethylamino)-3-ethoxy-2,2-difluoropropanoate

Standard CAS: 141546-96-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141546-96-5
Multi CAS
No
Molecular Formula
C9H17F2NO3
Molecular Weight
225.230000
Exact Mass
225.117650
SMILES
CCOC(C(C(=O)OCC)(F)F)N(C)C
InChI
InChI=1S/C9H17F2NO3/c1-5-14-7(12(3)4)9(10,11)8(13)15-6-2/h7H,5-6H2,1-4H3
InChIKey
WQKRWROIDBGNCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
50.68
TPSA
38.77

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
1.6
Consensus LogP
1.23
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately 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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us