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CAS 2448-45-5 N-Benzyloxycarbonyl-D-phenylalanine molecular structure lightbox
CAS RN: 2448-45-5

N-Benzyloxycarbonyl-D-phenylalanine

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250112 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260601 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250923 25g In stock Shanghai Inquiry
Batchno.20250104 500g In stock Shanghai Inquiry
Batchno.20260328 5g In stock Shanghai Inquiry
  • Product code: SSC-119091
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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: 100g
  • 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 2448-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

2448-45-5 / (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

Standard CAS: 2448-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2448-45-5
Multi CAS
No
Molecular Formula
C17H17NO4
Molecular Weight
299.320000
Exact Mass
299.115758
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKey
RRONHWAVOYADJL-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
81.33
TPSA
75.63

LogP / Solubility

WLOGP
2.61
MLOGP
2.31
XLogP3
2.1
Consensus LogP
2.34
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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