[email protected]
CAS 149229-27-6 2-Bromo-2,2-difluoro-1-morpholin-4-yl-ethanone molecular structure lightbox
CAS RN: 149229-27-6

2-Bromo-2,2-difluoro-1-morpholin-4-yl-ethanone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260113 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS149229-27-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

149229-27-6 / 2-bromo-2,2-difluoro-1-morpholin-4-ylethanone

Standard CAS: 149229-27-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149229-27-6
Multi CAS
No
Molecular Formula
C6H8BrF2NO2
Molecular Weight
244.030000
Exact Mass
242.970650
SMILES
C1COCCN1C(=O)C(F)(F)Br
InChI
InChI=1S/C6H8BrF2NO2/c7-6(8,9)5(11)10-1-3-12-4-2-10/h1-4H2
InChIKey
NHYQRYFTEZPSLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.27
TPSA
29.54

LogP / Solubility

WLOGP
0.83
MLOGP
0.74
XLogP3
0.9
Consensus LogP
0.82
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-3.62

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
1.5

Customers Also Viewed

Get In Touch

Contact Us