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CAS 101555-61-7 BOC-D-BETA-HOMOPHENYLALANINE molecular structure lightbox
CAS RN: 101555-61-7

BOC-D-BETA-HOMOPHENYLALANINE

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 1g In stock Inquiry
Batchno.20250706 250mg In stock Inquiry
Batchno.20250207 25g Out of stock Inquiry
Batchno.20250906 50mg In stock Inquiry
Batchno.20250316 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-002375
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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: 5g, 1g, 0.25g, 10g
  • Available purity: ≥97%
  • 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 101555-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 2 In Stock Shenzhen Inquiry
1g ≥97% 1 In Stock Hong Kong Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

101555-61-7 / (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid

(S)-3-(Boc-amino)-4-phenylbutyric acid | DTXSID40375820 | RefChem:211071

Standard CAS: 101555-61-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101555-61-7
Multi CAS
Yes
Molecular Formula
C15H21NO4
Molecular Weight
279.330000
Exact Mass
279.147058
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)CC(=O)O
InChI
InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKey
ACKWQHCPHJQANL-GFCCVEGCSA-N
Synonyms
(S)-3-(Boc-amino)-4-phenylbutyric acid DTXSID40375820 RefChem:211071 DTXCID50326848 Boc-L-beta-homophenylalanine

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.56
TPSA
75.63

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.4
Consensus LogP
2.43
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

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

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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