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CAS 2183440-31-3 t-Boc-N-Amido-PEG8-propargyl molecular structure lightbox
CAS RN: 2183440-31-3

t-Boc-N-Amido-PEG8-propargyl

  • Product code: SSC-105251
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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
  • 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 2183440-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Hong Kong Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g -- 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Beijing Inquiry

2183440-31-3 / tert-butyl N-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 2183440-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2183440-31-3
Multi CAS
No
Molecular Formula
C24H45NO10
Molecular Weight
507.600000
Exact Mass
507.304347
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCC#C
InChI
InChI=1S/C24H45NO10/c1-5-7-27-9-11-29-13-15-31-17-19-33-21-22-34-20-18-32-16-14-30-12-10-28-8-6-25-23(26)35-24(2,3)4/h1H,6-22H2,2-4H3,(H,25,26)
InChIKey
WMHPLGWQQONPQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.88
Rotatable bonds
25
H-bond acceptors
10
H-bond donors
1
Molar refractivity
129.62
TPSA
112.17

LogP / Solubility

WLOGP
1.28
MLOGP
1.16
XLogP3
-0.1
Consensus LogP
0.78
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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