RIG012

CAT: 0127-BUP08227-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08227-01Size:5 mg

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

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CAS Number

2642218-43-5

Purity

=98%

Smiles

C(C)C1(CC)C=2C(C=3C(C(=O)C2OCC4=CC=CC=C4)=CC=CC3)=NC1=O

Chemical Information

4-(Benzyloxy)-3,3-diethyl-2H-benzo[g]indole-2,5(3H)-dione

CAS Number	2642218-43-5
PubChem CID	154717119
IUPAC Name	3,3-diethyl-4-phenylmethoxybenzo[g]indole-2,5-dione
Molecular Formula	C23H21NO3
Molecular Weight	359.4
XLogP	4.3
Topological Polar Surface Area	55.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	680

SMILES

CCC1(C2=C(C(=O)C3=CC=CC=C3C2=NC1=O)OCC4=CC=CC=C4)CC

InChI

InChI=1S/C23H21NO3/c1-3-23(4-2)18-19(24-22(23)26)16-12-8-9-13-17(16)20(25)21(18)27-14-15-10-6-5-7-11-15/h5-13H,3-4,14H2,1-2H3

InChIKey

OEWZCENSPLZNPQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2642218-43-5

CID: 154717119

Formula: C23H21NO3

MW: 359.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.4
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	359.15214353
Monoisotopic Mass	359.15214353
Topological Polar Surface Area	55.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	680
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
E1777-100mg	RIG012