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CAS 117049-14-6 N-(tert-Butoxycarbonyl)-L-2-phenylglycinol molecular structure lightbox
CAS RN: 117049-14-6

N-(tert-Butoxycarbonyl)-L-2-phenylglycinol

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260326 100g In stock Inquiry
Batchno.20250413 10g In stock Inquiry
Batchno.20250224 25g In stock Inquiry
Batchno.20260519 500g Out of stock Inquiry
Batchno.20251202 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250621 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-016876
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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, 100g
  • 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 117049-14-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Hong Kong Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g -- 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry
100g -- 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

117049-14-6 / tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate

N-Boc-DL-Phenylglycinol | tert-Butyl (2-hydroxy-1-phenylethyl)carbamate | N-BOC-D/L-PHENYLGLYCINOL

Standard CAS: 117049-14-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
117049-14-6
Multi CAS
Yes
Molecular Formula
C13H19NO3
Molecular Weight
237.290000
Exact Mass
237.136493
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C1=CC=CC=C1
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKey
IBDIOGYTZBKRGI-LLVKDONJSA-N
Synonyms
N-Boc-DL-Phenylglycinol tert-Butyl (2-hydroxy-1-phenylethyl)carbamate N-BOC-D/L-PHENYLGLYCINOL tert-butyl N-(2-hydroxy-1-phenylethyl)carbamate MFCD01883039

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.64
TPSA
58.56

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
1.8
Consensus LogP
2.01
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

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

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