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CAS 445303-96-8 Benzenamine, 3-(difluoromethyl)-4-fluoro- (9CI) molecular structure lightbox
CAS RN: 445303-96-8

Benzenamine, 3-(difluoromethyl)-4-fluoro- (9CI)

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251123 100mg In stock Shanghai Inquiry
Batchno.20250826 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250214 1g In stock Shanghai Inquiry
Batchno.20250509 250mg In stock Shanghai Inquiry
Batchno.20250804 5g In stock Shanghai Inquiry
  • Product code: SSC-152576
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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 445303-96-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

445303-96-8 / 3-(difluoromethyl)-4-fluoroaniline

Standard CAS: 445303-96-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
445303-96-8
Multi CAS
No
Molecular Formula
C7F3H6N
Molecular Weight
161.120000
Exact Mass
161.045234
InChI
InChI=1S/C7H6F3N/c8-6-2-1-4(11)3-5(6)7(9)10/h1-3,7H,11H2
InChIKey
IFWSBTBYKXRINT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.77
TPSA
26.02

LogP / Solubility

WLOGP
2.35
MLOGP
2.06
XLogP3
2
Consensus LogP
2.14
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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