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CAS 136814-99-8 N-ACETYL-2-(4-FLUORO-PHENYL)-D-GLYCINE molecular structure lightbox
CAS RN: 136814-99-8

N-ACETYL-2-(4-FLUORO-PHENYL)-D-GLYCINE

  • Product code: SSC-045910
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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 136814-99-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

136814-99-8 / (2R)-2-acetamido-2-(4-fluorophenyl)acetic acid

Standard CAS: 136814-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136814-99-8
Multi CAS
No
Molecular Formula
C10H10FNO3
Molecular Weight
211.190000
Exact Mass
211.064471
SMILES
CC(=O)N[C@H](C1=CC=C(C=C1)F)C(=O)O
InChI
InChI=1S/C10H10FNO3/c1-6(13)12-9(10(14)15)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKey
HZTADRWBVNKKSJ-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.59
TPSA
66.4

LogP / Solubility

WLOGP
1.09
MLOGP
0.96
XLogP3
0.9
Consensus LogP
0.98
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.24

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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