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CAS 1423025-86-8 3-(Boc-amino)-1-phenyl-2-butanone molecular structure lightbox
CAS RN: 1423025-86-8

3-(Boc-amino)-1-phenyl-2-butanone

  • Product code: SSC-053103
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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, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1423025-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 4 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

1423025-86-8 / tert-butyl N-(3-oxo-4-phenylbutan-2-yl)carbamate

Standard CAS: 1423025-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1423025-86-8
Multi CAS
No
Molecular Formula
C15H21NO3
Molecular Weight
263.330000
Exact Mass
263.152144
SMILES
CC(C(=O)CC1=CC=CC=C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H21NO3/c1-11(16-14(18)19-15(2,3)4)13(17)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18)
InChIKey
RAOTXZXQIDCGHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.98
TPSA
55.4

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
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)
-2.4

Drug-likeness / Medicinal Chemistry

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

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