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CAS 116332-61-7 N-Methoxy-N-methyl-4-(trifluoromethyl)benzamide molecular structure lightbox
CAS RN: 116332-61-7

N-Methoxy-N-methyl-4-(trifluoromethyl)benzamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260519 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-016403
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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: 5g
  • Available purity: ≥98%
  • 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 116332-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

116332-61-7 / N-methoxy-N-methyl-4-(trifluoromethyl)benzamide

(R)-3-Amino-3-(4-trifluoromethyl-phenyl)-propionic acid | (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid | MFCD04113668

Standard CAS: 116332-61-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116332-61-7
Multi CAS
Yes
Molecular Formula
C10H10F3NO2
Molecular Weight
233.190000
Exact Mass
233.066363
SMILES
CN(C(=O)C1=CC=C(C=C1)C(F)(F)F)OC
InChI
InChI=1S/C10H10F3NO2/c1-14(16-2)9(15)7-3-5-8(6-4-7)10(11,12)13/h3-6H,1-2H3
InChIKey
YFDOMHRDNWBTMU-UHFFFAOYSA-N
Synonyms
(R)-3-Amino-3-(4-trifluoromethyl-phenyl)-propionic acid (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid MFCD04113668 (R)-3-Amino-3-(4-(trifluoromethyl)phenyl)propanoic acid (R)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.55
TPSA
29.54

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.3
Consensus LogP
2.23
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.48

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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