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CAS 701-49-5 4-FLUORO-N-METHYLBENZAMIDE molecular structure lightbox
CAS RN: 701-49-5

4-FLUORO-N-METHYLBENZAMIDE

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251121 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250902 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-179900
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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: 10g
  • 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 701-49-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry

701-49-5 / 4-fluoro-N-methylbenzamide

Standard CAS: 701-49-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
701-49-5
Multi CAS
Yes
Molecular Formula
C8FH8NO
Molecular Weight
153.150000
Exact Mass
153.058992
InChI
InChI=1S/C8H8FNO/c1-10-8(11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,10,11)
InChIKey
PIHJUDHVYWCZLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.79
TPSA
29.1

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
1.2
Consensus LogP
1.14
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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