K145 Hydrochloride

CAT: 0127-OR1023102-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1023102-01Size:5 mg

Selected

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

Quick Request Actions

CAS Number

1449240-68-9

Synonyms

(5Z) -3- (2-aminoethyl) -5-[3- (4-butoxyphenyl) propylidene]-1,3-thiazolidine-2,4-dione; hydrochloride

Purity

98%

Smiles

CCCCOC1=CC=C(C=C1)CC/C=C\2/C(=O)N(C(=O)S2)CCN.Cl

Chemical Information

K145 hydrochloride

CAS Number	1449240-68-9
PubChem CID	76849910
IUPAC Name	(5Z)-3-(2-aminoethyl)-5-[3-(4-butoxyphenyl)propylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
Molecular Formula	C18H25ClN2O3S
Molecular Weight	384.9
Topological Polar Surface Area	97.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	25
Formal Charge	0
Complexity	459

SMILES

CCCCOC1=CC=C(C=C1)CC/C=C\2/C(=O)N(C(=O)S2)CCN.Cl

InChI

InChI=1S/C18H24N2O3S.ClH/c1-2-3-13-23-15-9-7-14(8-10-15)5-4-6-16-17(21)20(12-11-19)18(22)24-16;/h6-10H,2-5,11-13,19H2,1H3;1H/b16-6-;

InChIKey

HADFDMGQKBGVAV-NKBLJONXSA-N

Chemical Structure

2D Structure

CAS: 1449240-68-9

CID: 76849910

Formula: C18H25ClN2O3S

MW: 384.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	384.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Exact Mass	384.1274415
Monoisotopic Mass	384.1274415
Topological Polar Surface Area	97.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	459
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
OR1043462-01	Hydrochloride
BUP10427-01	Landiolol hydrochloride
BUP18561	Tetracaine hydrochloride
BUP23581-01	β-Aminopropionitrile hydrochloride
BIO0140-01	Oxytetracycline hydrochloride
OR1038523	Littorine (hydrochloride)
OR1037189	Desethylamiodarone (hydrochloride)
BUP12652-01	Vabicaserin hydrochloride
BUP12603-01	VU591 hydrochloride
BUP12190-01	Ruboxistaurin hydrochloride