RS-246204 50mg

CAT: 0628-A13316-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A13316-50Size:50 mg

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

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CAS Number

878451-87-7

Chemical Information

3,7-Dimethyl-8-quinolin-2-ylsulfanylpurine-2,6-dione

CAS Number	878451-87-7
PubChem CID	6485821
IUPAC Name	3,7-dimethyl-8-quinolin-2-ylsulfanylpurine-2,6-dione
Molecular Formula	C16H13N5O2S
Molecular Weight	339.4
XLogP	2.4
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	533

SMILES

CN1C2=C(N=C1SC3=NC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H13N5O2S/c1-20-12-13(21(2)15(23)19-14(12)22)18-16(20)24-11-8-7-9-5-3-4-6-10(9)17-11/h3-8H,1-2H3,(H,19,22,23)

InChIKey

UHUHSGFUUWVRBO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 878451-87-7

CID: 6485821

Formula: C16H13N5O2S

MW: 339.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.4
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	339.07899585
Monoisotopic Mass	339.07899585
Topological Polar Surface Area	105 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	533
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
HY-112484-01	RS-246204
21560005-1	Cellulase RS (Onozuka RS)
448210-01	(+/-) - ((endo, RS), RS) Biperiden Hydrochloride
AR-N01219-01	Nebivolol Impurity 22 (RS, RS)
449883-01	(+/-) - ((exo, RS), RS) Biperiden Hydrochloride
TRC-B397945-100MG	(+/-)-((exo, RS), RS) Biperiden Hydrochloride
217758	(RS) -PPG (RS) -4-Phosphonophenylglycine)
TRC-B397948-2.5MG	(+/-)-((endo, RS), RS) Biperiden Hydrochloride
B6265-5.1	(RS)-MCPG
A3778-5	RS 127445