BRD7389

CAT: 0127-BUP09876-01Size: 2 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP09876-01Size:2 mg

Selected

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

Quick Request Actions

CAS Number

376382-11-5

Purity

=98%

Smiles

O=C1c2ccccc2-c2c(NCCc3ccccc3)c(=O)[nH]c3cccc1c23

Chemical Information

1-Phenethylamino-3H-naphtho(1,2,3-de)quinoline-2,7-dione

LSM-4550 is a member of anthracenes.

CAS Number	376382-11-5
PubChem CID	1080352
IUPAC Name	16-(2-phenylethylamino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
Molecular Formula	C24H18N2O2
Molecular Weight	366.4
XLogP	4.2
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	664

SMILES

C1=CC=C(C=C1)CCNC2=C3C4=CC=CC=C4C(=O)C5=C3C(=CC=C5)NC2=O

InChI

InChI=1S/C24H18N2O2/c27-23-17-10-5-4-9-16(17)21-20-18(23)11-6-12-19(20)26-24(28)22(21)25-14-13-15-7-2-1-3-8-15/h1-12,25H,13-14H2,(H,26,28)

InChIKey

XASCINRGTHLHGM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 376382-11-5

CID: 1080352

Formula: C24H18N2O2

MW: 366.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	366.4
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	366.136827821
Monoisotopic Mass	366.136827821
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	664
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
BUP04100-01	BRD6989
OR1073967-01	BRD7586

Catalog	Name
M26635-01	BRD7389