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CAS 2112731-44-7 N-Boc-PEG9-alcohol molecular structure lightbox
CAS RN: 2112731-44-7

N-Boc-PEG9-alcohol

  • Product code: SSC-100854
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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: 10g, 0.25g, 0.1g, 1g, 5g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 2112731-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g -- 2 In Stock Hong Kong Inquiry
10g ≥95% 2 In Stock Beijing Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
0.1g -- 0 Out of Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
1g -- 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g -- 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
25g -- 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

2112731-44-7 / tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 2112731-44-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2112731-44-7
Multi CAS
No
Molecular Formula
C23H47NO11
Molecular Weight
513.600000
Exact Mass
513.314911
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C23H47NO11/c1-23(2,3)35-22(26)24-4-6-27-8-10-29-12-14-31-16-18-33-20-21-34-19-17-32-15-13-30-11-9-28-7-5-25/h25H,4-21H2,1-3H3,(H,24,26)
InChIKey
RRJGWZKZLBILQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.96
Rotatable bonds
26
H-bond acceptors
11
H-bond donors
2
Molar refractivity
127.87
TPSA
132.4

LogP / Solubility

WLOGP
0.64
MLOGP
0.6
XLogP3
-0.9
Consensus LogP
0.11
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.4

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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