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CAS 75703-25-2 2,2,2-TRIFLUORO-1-P-TOLYL-ETHANONEOXIME molecular structure lightbox
CAS RN: 75703-25-2

2,2,2-TRIFLUORO-1-P-TOLYL-ETHANONEOXIME

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250802 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS75703-25-2
  • Purity/Analytical Methods: >99.0%
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75703-25-2 / (NZ)-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]hydroxylamine

Standard CAS: 75703-25-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75703-25-2
Multi CAS
Yes
Molecular Formula
C9F3H8NO
Molecular Weight
203.160000
Exact Mass
203.055798
InChI
InChI=1S/C9H8F3NO/c1-6-2-4-7(5-3-6)8(13-14)9(10,11)12/h2-5,14H,1H3/b13-8-
InChIKey
HWQOIGLJELXUJT-JYRVWZFOSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.56
TPSA
32.59

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
3.3
Consensus LogP
2.82
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-2.02

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

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