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CAS 160232-08-6 tert-Butyl [(2S,3R)-3-Hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl]carbamate molecular structure lightbox
CAS RN: 160232-08-6

tert-Butyl [(2S,3R)-3-Hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl]carbamate

  • Product code: SSC-068217
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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, 10g, 0.1g, 0.25g, 1g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • 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 160232-08-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 3 In Stock Shanghai Inquiry
10g ≥97% 3 In Stock Hong Kong Inquiry
0.1g ≥97% 2 In Stock Hong Kong Inquiry
0.25g ≥97% 2 In Stock Shenzhen Inquiry
1g ≥97% 2 In Stock Beijing Inquiry
25g ≥97% 1 In Stock Hong Kong Inquiry

160232-08-6 / tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate

Standard CAS: 160232-08-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
160232-08-6
Multi CAS
No
Molecular Formula
C19H32N2O3
Molecular Weight
336.500000
Exact Mass
336.241293
SMILES
CC(C)CNC[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m0/s1
InChIKey
NVEPLQDORJSXRO-DLBZAZTESA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
97.02
TPSA
70.59

LogP / Solubility

WLOGP
2.73
MLOGP
2.42
XLogP3
3.2
Consensus LogP
2.78
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P391, P405, and P501

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