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CAS 261762-99-6 3-CHLORO-4-FLUORO-DL-PHENYLGLYCINE molecular structure lightbox
CAS RN: 261762-99-6

3-CHLORO-4-FLUORO-DL-PHENYLGLYCINE

  • Product code: SSC-123215
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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 261762-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

261762-99-6 / 2-amino-2-(3-chloro-4-fluorophenyl)acetic acid

Standard CAS: 261762-99-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
261762-99-6
Multi CAS
No
Molecular Formula
C8H7ClFNO2
Molecular Weight
203.600000
Exact Mass
203.014934
SMILES
C1=CC(=C(C=C1C(C(=O)O)N)Cl)F
InChI
InChI=1S/C8H7ClFNO2/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChIKey
DVSWHHQDQJPPBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.97
TPSA
63.32

LogP / Solubility

WLOGP
1.56
MLOGP
1.38
XLogP3
-1
Consensus LogP
0.65
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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