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CAS 56287-72-0 BENZAMIDE, 2-[(2-FLUOROACETYL)AMINO]-N-(2-METHYLPHENYL)-5-NITRO- molecular structure lightbox
CAS RN: 56287-72-0

BENZAMIDE, 2-[(2-FLUOROACETYL)AMINO]-N-(2-METHYLPHENYL)-5-NITRO-

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250718 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250104 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-164269
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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: 0.25g
  • 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 56287-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

56287-72-0 / 2-[(2-fluoroacetyl)amino]-N-(2-methylphenyl)-5-nitrobenzamide

Standard CAS: 56287-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56287-72-0
Multi CAS
No
Molecular Formula
C16FH14N3O4
Molecular Weight
331.300000
Exact Mass
331.096834
InChI
InChI=1S/C16H14FN3O4/c1-10-4-2-3-5-13(10)19-16(22)12-8-11(20(23)24)6-7-14(12)18-15(21)9-17/h2-8H,9H2,1H3,(H,18,21)(H,19,22)
InChIKey
IHMGVBGVESPOHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.83
TPSA
101.34

LogP / Solubility

WLOGP
3.06
MLOGP
2.71
XLogP3
3.1
Consensus LogP
2.96
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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