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CAS 2018-61-3 N-Acetyl-L-phenylalanine molecular structure lightbox
CAS RN: 2018-61-3

N-Acetyl-L-phenylalanine

Product Availability

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10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 100g In stock Inquiry
Batchno.20250430 1g In stock Inquiry
Batchno.20260626 25g In stock Inquiry
Batchno.20250102 500g In stock Inquiry
Batchno.20251012 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251201 100g In stock Shanghai, Hebei Inquiry
Batchno.20250521 1g In stock Shanghai, Chongqing Inquiry
Batchno.20250622 25g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250305 500g In stock Chongqing Inquiry
Batchno.20251005 5g In stock Shanghai Inquiry
  • Product code: SSC-095103
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 5g, 100g, 500g
  • Available purity: ≥99%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2018-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥99% 5 In Stock Beijing Inquiry
5g ≥99% 4 In Stock Beijing Inquiry
100g ≥99% 0 Out of Stock Shenzhen Inquiry
500g ≥99% 0 Out of Stock Shanghai Inquiry

2018-61-3 / (2S)-2-acetamido-3-phenylpropanoic acid

Standard CAS: 2018-61-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
2018-61-3
Multi CAS
No
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKey
CBQJSKKFNMDLON-JTQLQIEISA-N

Physical Properties

Melting Point
171 - 173 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.39
TPSA
66.4

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.6
Consensus LogP
0.71
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
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)
-3.4

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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