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CAS 136815-01-5 N-ACETYL-2-(4-FLUOROPHENYL)-L-GLYCINE molecular structure lightbox
CAS RN: 136815-01-5

N-ACETYL-2-(4-FLUOROPHENYL)-L-GLYCINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS136815-01-5
  • Purity/Analytical Methods: >99.0%
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136815-01-5 / (2S)-2-acetamido-2-(4-fluorophenyl)acetic acid

Standard CAS: 136815-01-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136815-01-5
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-/m0/s1
InChIKey
HZTADRWBVNKKSJ-VIFPVBQESA-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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