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CAS 104504-45-2 L-4-BENZOYLPHENYLALANINE molecular structure lightbox
CAS RN: 104504-45-2

L-4-BENZOYLPHENYLALANINE

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250322 1g In stock Inquiry
Batchno.20250202 250mg In stock Inquiry
Batchno.20260302 25g Out of stock Inquiry
Batchno.20251108 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250118 250mg In stock Shanghai, Shandong Inquiry
Batchno.20260111 5g In stock Shanghai, Hebei Inquiry
  • Product code: SSC-006313
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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: ＞97%
  • 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 104504-45-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

104504-45-2 / (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid

2-amino-3-(4-benzoylphenyl)propanoic Acid | 4-Benzoyl-DL-phenylalanine | L-p-Benzoylphenylalanine

Standard CAS: 104504-45-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104504-45-2
Multi CAS
Yes
Molecular Formula
C16H15NO3
Molecular Weight
269.290000
Exact Mass
269.105193
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[C@@H](C(=O)O)N
InChI
InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
InChIKey
TVIDEEHSOPHZBR-AWEZNQCLSA-N
Synonyms
2-amino-3-(4-benzoylphenyl)propanoic Acid 4-Benzoyl-DL-phenylalanine L-p-Benzoylphenylalanine SCHEMBL44096 MFCD00467895

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.63
TPSA
80.39

LogP / Solubility

WLOGP
1.87
MLOGP
1.66
XLogP3
0.2
Consensus LogP
1.24
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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