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CAS 106454-69-7 N-(tert-Butoxycarbonyl)-D-phenylalaninol molecular structure lightbox
CAS RN: 106454-69-7

N-(tert-Butoxycarbonyl)-D-phenylalaninol

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250304 100g In stock Inquiry
Batchno.20250312 1g In stock Inquiry
Batchno.20251028 25g In stock Inquiry
Batchno.20250806 5g In stock Inquiry
  • Product code: SSC-008104
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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: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 106454-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

106454-69-7 / tert-butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate

N-Boc-DL-phenylalaninol | DTXSID90338006 | RefChem:363498

Standard CAS: 106454-69-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106454-69-7
Multi CAS
Yes
Molecular Formula
C14H21NO3
Molecular Weight
251.320000
Exact Mass
251.152144
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)CO
InChI
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKey
LDKDMDVMMCXTMO-GFCCVEGCSA-N
Synonyms
N-Boc-DL-phenylalaninol DTXSID90338006 RefChem:363498 DTXCID80289093 tert-Butyl (1-hydroxy-3-phenylpropan-2-yl)carbamate

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.39
TPSA
58.56

LogP / Solubility

WLOGP
2.11
MLOGP
1.87
XLogP3
2.3
Consensus LogP
2.09
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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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