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CAS 883226-00-4 2-[(2-chloro-6-fluorophenyl)formamido]acetic acid molecular structure lightbox
CAS RN: 883226-00-4

2-[(2-chloro-6-fluorophenyl)formamido]acetic acid

  • Product code: SSC-198888
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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 883226-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

883226-00-4 / 2-[(2-chloro-6-fluorobenzoyl)amino]acetic acid

Standard CAS: 883226-00-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883226-00-4
Multi CAS
No
Molecular Formula
C9H7CLFNO3
Molecular Weight
231.610000
Exact Mass
231.009849
InChI
InChI=1S/C9H7ClFNO3/c10-5-2-1-3-6(11)8(5)9(15)12-4-7(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKey
ZFEUSPILIYJEFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.38
TPSA
66.4

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
1.5
Consensus LogP
1.31
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-3.21

Drug-likeness / Medicinal Chemistry

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

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