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CAS 1934854-71-3 N-Boc-7-aminobenzofuran molecular structure lightbox
CAS RN: 1934854-71-3

N-Boc-7-aminobenzofuran

  • Product code: SSC-090951
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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: 0.1g, 0.25g, 1g, 5g, 10g, 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 1934854-71-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 2 In Stock Beijing Inquiry
0.25g ≥97% 2 In Stock Beijing Inquiry
1g ≥97% 2 In Stock Beijing Inquiry
5g ≥97% 2 In Stock Shanghai Inquiry
10g ≥97% 2 In Stock Hong Kong Inquiry
25g ≥97% 2 In Stock Hong Kong Inquiry

1934854-71-3 / tert-butyl N-(1-benzofuran-7-yl)carbamate

Standard CAS: 1934854-71-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1934854-71-3
Multi CAS
No
Molecular Formula
C13H15NO3
Molecular Weight
233.260000
Exact Mass
233.105193
SMILES
CC(C)(C)OC(=O)NC1=CC=CC2=C1OC=C2
InChI
InChI=1S/C13H15NO3/c1-13(2,3)17-12(15)14-10-6-4-5-9-7-8-16-11(9)10/h4-8H,1-3H3,(H,14,15)
InChIKey
GYXRUBUQDKNSAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.07
TPSA
51.47

LogP / Solubility

WLOGP
3.78
MLOGP
3.33
XLogP3
2.9
Consensus LogP
3.34
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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