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CAS 307308-81-2 4-(2,6-difluorophenoxy)aniline molecular structure lightbox
CAS RN: 307308-81-2

4-(2,6-difluorophenoxy)aniline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260630 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-135669
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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: 5g
  • 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 307308-81-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

307308-81-2 / 4-(2,6-difluorophenoxy)aniline

Standard CAS: 307308-81-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
307308-81-2
Multi CAS
No
Molecular Formula
C12F2H9NO
Molecular Weight
221.200000
Exact Mass
221.065220
InChI
InChI=1S/C12H9F2NO/c13-10-2-1-3-11(14)12(10)16-9-6-4-8(15)5-7-9/h1-7H,15H2
InChIKey
VQWLDDHBHQYMTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.29
TPSA
35.25

LogP / Solubility

WLOGP
3.34
MLOGP
2.94
XLogP3
3
Consensus LogP
3.09
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7

Drug-likeness / Medicinal Chemistry

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

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