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CAS 23794-73-2 CarbaMic acid, N-[4-(trifluoroMethyl)phenyl]-, ethyl ester molecular structure lightbox
CAS RN: 23794-73-2

CarbaMic acid, N-[4-(trifluoroMethyl)phenyl]-, ethyl ester

  • Product code: SSC-115859
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23794-73-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

23794-73-2 / ethyl N-[4-(trifluoromethyl)phenyl]carbamate

Standard CAS: 23794-73-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23794-73-2
Multi CAS
No
Molecular Formula
C10H10F3NO2
Molecular Weight
233.190000
Exact Mass
233.066363
SMILES
CCOC(=O)NC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C10H10F3NO2/c1-2-16-9(15)14-8-5-3-7(4-6-8)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKey
JEVZZFDJGJRPMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.09
TPSA
38.33

LogP / Solubility

WLOGP
3.27
MLOGP
2.88
XLogP3
3.2
Consensus LogP
3.12
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

Drug-likeness / Medicinal Chemistry

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

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