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CAS 1042534-72-4 3-{[(4-fluorophenyl)methyl]amino}benzamide molecular structure lightbox
CAS RN: 1042534-72-4

3-{[(4-fluorophenyl)methyl]amino}benzamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-006010
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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: ≥95%
  • 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 1042534-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1042534-72-4 / 3-[(4-fluorophenyl)methylamino]benzamide

3-{[(4-fluorophenyl)methyl]amino}benzamide | 3-[[(4-Fluorophenyl)methyl]amino]benzamide | 3-([(4-FLUOROPHENYL)METHYL]AMINO)BENZAMIDE

Standard CAS: 1042534-72-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1042534-72-4
Multi CAS
No
Molecular Formula
C14H13FN2O
Molecular Weight
244.260000
Exact Mass
244.101191
SMILES
C1=CC(=CC(=C1)NCC2=CC=C(C=C2)F)C(=O)N
InChI
InChI=1S/C14H13FN2O/c15-12-6-4-10(5-7-12)9-17-13-3-1-2-11(8-13)14(16)18/h1-8,17H,9H2,(H2,16,18)
InChIKey
MUJUVCOIMMGFNB-UHFFFAOYSA-N
Synonyms
3-{[(4-fluorophenyl)methyl]amino}benzamide 3-[[(4-Fluorophenyl)methyl]amino]benzamide 3-([(4-FLUOROPHENYL)METHYL]AMINO)BENZAMIDE 3-(((4-Fluorophenyl)methyl)amino)benzamide RefChem:487945

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.69
TPSA
55.12

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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