[email protected]
CAS 899828-53-6 Acetone O-2,3,4,5,6-PFBHA-oxime molecular structure lightbox
CAS RN: 899828-53-6

Acetone O-2,3,4,5,6-PFBHA-oxime

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260521 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS899828-53-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

899828-53-6 / N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propan-2-imine

Standard CAS: 899828-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
899828-53-6
Multi CAS
No
Molecular Formula
C10F5H8NO
Molecular Weight
253.170000
Exact Mass
253.052605
InChI
InChI=1S/C10H8F5NO/c1-4(2)16-17-3-5-6(11)8(13)10(15)9(14)7(5)12/h3H2,1-2H3
InChIKey
DLIFNTQMBOCKTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
49.8
TPSA
21.59

LogP / Solubility

WLOGP
3.29
MLOGP
2.91
XLogP3
2.5
Consensus LogP
2.9
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us