M-PEG2-DBCO

CAT: 0127-BIPG2544-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG2544-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2698341-01-2

Purity

≥95%

Smiles

COCCOCCNC (=O) CCC (=O) N1CC2=CC=CC=C2C#CC3=CC=CC=C31

Chemical Information

m-PEG2-DBCO

CAS Number	2698341-01-2
PubChem CID	155061382
IUPAC Name	4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxobutanamide
Molecular Formula	C24H26N2O4
Molecular Weight	406.5
XLogP	1.8
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	30
Formal Charge	0
Complexity	638

SMILES

COCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31

InChI

InChI=1S/C24H26N2O4/c1-29-16-17-30-15-14-25-23(27)12-13-24(28)26-18-21-8-3-2-6-19(21)10-11-20-7-4-5-9-22(20)26/h2-9H,12-18H2,1H3,(H,25,27)

InChIKey

MSDBUVAFXGJQTF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2698341-01-2

CID: 155061382

Formula: C24H26N2O4

MW: 406.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	406.5
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	406.18925731
Monoisotopic Mass	406.18925731
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	638
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes