endo-BCN-PEG3-acid

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endo-BCN-PEG3-acid

endo-BCN-PEG3-acid | 1807501-82-1

Catalog Number R16-0017
Category BCN
Molecular Formula C₂₀H₃₁NO₇
Molecular Weight 397.46
Catalog Number Size Price Quantity
R16-0017 -- $--
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Product Introduction

endo-BCN-PEG3-acid is a polyethylene glycol (PEG)-based PROTAC linker. endo-BCN-PEG3-acid can be used in the synthesis of a series of PROTACs.

Chemical Information
Synonyms 1-(bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10,13-tetraoxa-4-azahexadecan-16-oic acid; 3-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]propanoic acid; 3-{2-[2-(2-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}ethoxy)ethoxy]ethoxy}propanoic acid
Purity 95%
IUPAC Name 3-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES C1CC2C(C2COC(=O)NCCOCCOCCOCCC(=O)O)CCC#C1
InChI InChI=1S/C20H31NO7/c22-19(23)7-9-25-11-13-27-14-12-26-10-8-21-20(24)28-15-18-16-5-3-1-2-4-6-17(16)18/h16-18H,3-15H2,(H,21,24)(H,22,23)
InChI Key NRDCHHRLBMBFHZ-UHFFFAOYSA-N
Solubility Water, DMSO, DCM, DMF
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.
Signal Warning
GHS Hazard Statements H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties
XLogP3 1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 15
Exact Mass 397.21005233 g/mol
Monoisotopic Mass 397.21005233 g/mol
Topological Polar Surface Area 103Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 535
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Applications of Fluorescent Probes & Dyes

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