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CAS 284030-57-5 4-AMINO-2,3-DIFLUORO-5-NITRO-BENZOIC ACID molecular structure lightbox
CAS RN: 284030-57-5

4-AMINO-2,3-DIFLUORO-5-NITRO-BENZOIC ACID

  • Product code: SSC-129613
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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: 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 284030-57-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

284030-57-5 / 4-amino-2,3-difluoro-5-nitrobenzoic acid

Standard CAS: 284030-57-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
284030-57-5
Multi CAS
No
Molecular Formula
C7F2H4N2O4
Molecular Weight
218.110000
Exact Mass
218.013913
InChI
InChI=1S/C7H4F2N2O4/c8-4-2(7(12)13)1-3(11(14)15)6(10)5(4)9/h1H,10H2,(H,12,13)
InChIKey
WXXHOWQPFHXRDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.38
TPSA
106.46

LogP / Solubility

WLOGP
1.15
MLOGP
1.02
XLogP3
1.3
Consensus LogP
1.16
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

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

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