Cy2

CAT: 0607-C8253-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-C8253-25Size:25 mg

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

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CAS Number

260430-02-2

Form

A solid

Molecular Formula

C25H26N2O4

Molecular Weight

418.49

Shipping Conditions

Blue ice

Storage Conditions

-20°C, protect from light.

Chemical Information

6-(2-(3-(3-Ethylbenzo[d]oxazol-3-ium-2-yl)allylidene)benzo[d]oxazol-3(2H)-yl)hexanoate

CAS Number	260430-02-2
PubChem CID	85074807
IUPAC Name	6-[2-[3-(3-ethyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium-3-yl]hexanoate
Molecular Formula	C25H26N2O4
Molecular Weight	418.5
XLogP	6
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	658

SMILES

CCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCCC(=O)[O-]

InChI

InChI=1S/C25H26N2O4/c1-2-26-19-11-5-7-13-21(19)30-23(26)15-10-16-24-27(18-9-3-4-17-25(28)29)20-12-6-8-14-22(20)31-24/h5-8,10-16H,2-4,9,17-18H2,1H3

InChIKey

WORLWSFCGZCFSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 260430-02-2

CID: 85074807

Formula: C25H26N2O4

MW: 418.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	418.5
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	418.18925731
Monoisotopic Mass	418.18925731
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	658
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	2
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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