[email protected]
CAS 1005460-15-0 2,4,6-trifluorobenzamidine molecular structure lightbox
CAS RN: 1005460-15-0

2,4,6-trifluorobenzamidine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251025 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1005460-15-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1005460-15-0 / 2,4,6-trifluorobenzenecarboximidamide

2,4,6-Trifluorobenzimidamide | 2,4,6-TRIFLUORO-BENZAMIDINE | 2,4,6-Trifluorobenzene-1-carboximidamide

Standard CAS: 1005460-15-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1005460-15-0
Multi CAS
No
Molecular Formula
C7H5F3N2
Molecular Weight
174.120000
Exact Mass
174.040483
SMILES
C1=C(C=C(C(=C1F)C(=N)N)F)F
InChI
InChI=1S/C7H5F3N2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H3,11,12)
InChIKey
CYZIWQQIIHNZKB-UHFFFAOYSA-N
Synonyms
2,4,6-Trifluorobenzimidamide 2,4,6-TRIFLUORO-BENZAMIDINE 2,4,6-Trifluorobenzene-1-carboximidamide 2,4,6-trifluorobenzenecarboximidamide Benzenecarboximidamide, 2,4,6-trifluoro-

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
37.33
TPSA
49.87

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.2
Consensus LogP
1.27
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
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)
-2.8

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