[email protected]
CAS 102089-74-7 N-(tert-Butoxycarbonyl)-D-2-phenylglycinol molecular structure lightbox
CAS RN: 102089-74-7

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

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250429 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-003338
GET A QUOTE
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: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 102089-74-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 5 In Stock Shanghai Inquiry
25g ≥98% 1 In Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

102089-74-7 / tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate

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

Standard CAS: 102089-74-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102089-74-7
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-/m0/s1
InChIKey
IBDIOGYTZBKRGI-NSHDSACASA-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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation] H373 (33.3%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P261, P271, P273, P304+P340, P317, P319, and P501

Customers Also Viewed

Get In Touch

Contact Us