FM04

CAT: 0127-BUP03856-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03856-01Size:5 mg

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

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CAS Number

1807320-40-6

Purity

=98%

Smiles

O=C1C=C(OC=2C1=CC=CC2)C3=CC=C(OCCOCCNCC4=CC=CC=C4)C=C3

Chemical Information

2-[4-[2-[2-(Benzylamino)ethoxy]ethoxy]phenyl]chromen-4-one

CAS Number	1807320-40-6
PubChem CID	118323802
IUPAC Name	2-[4-[2-[2-(benzylamino)ethoxy]ethoxy]phenyl]chromen-4-one
Molecular Formula	C26H25NO4
Molecular Weight	415.5
XLogP	4.4
Topological Polar Surface Area	56.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	31
Formal Charge	0
Complexity	578

SMILES

C1=CC=C(C=C1)CNCCOCCOC2=CC=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C26H25NO4/c28-24-18-26(31-25-9-5-4-8-23(24)25)21-10-12-22(13-11-21)30-17-16-29-15-14-27-19-20-6-2-1-3-7-20/h1-13,18,27H,14-17,19H2

InChIKey

JIFJFNBTQSCGBM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1807320-40-6

CID: 118323802

Formula: C26H25NO4

MW: 415.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	415.5
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	415.17835828
Monoisotopic Mass	415.17835828
Topological Polar Surface Area	56.8 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	578
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

Catalog	Name
MBS5814557	FM04