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CAS 1820734-56-2 Methyl 4-[[[3-(FluoroMethyl)phenyl]aMino]Methyl]benzoate molecular structure lightbox
CAS RN: 1820734-56-2

Methyl 4-[[[3-(FluoroMethyl)phenyl]aMino]Methyl]benzoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-082922
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1820734-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry

1820734-56-2 / methyl 4-[[3-(fluoromethyl)anilino]methyl]benzoate

Standard CAS: 1820734-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820734-56-2
Multi CAS
No
Molecular Formula
C16H16FNO2
Molecular Weight
273.300000
Exact Mass
273.116507
SMILES
COC(=O)C1=CC=C(C=C1)CNC2=CC=CC(=C2)CF
InChI
InChI=1S/C16H16FNO2/c1-20-16(19)14-7-5-12(6-8-14)11-18-15-4-2-3-13(9-15)10-17/h2-9,18H,10-11H2,1H3
InChIKey
LEDCISRSHODNRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.36
TPSA
38.33

LogP / Solubility

WLOGP
3.55
MLOGP
3.14
XLogP3
3.4
Consensus LogP
3.36
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

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

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