ML-180

CAT: 0127-BUP04269-06Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP04269-06Size:100 mg

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

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CAS Number

863588-32-3

Synonyms

SR1848

Purity

=98%

Smiles

Clc1cccc(c1)N1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1

Chemical Information

SR1848

6-[4-(3-chlorophenyl)-1-piperazinyl]-3-cyclohexyl-1H-pyrimidine-2,4-dione is a member of piperazines.

CAS Number	863588-32-3
PubChem CID	3238389
IUPAC Name	6-[4-(3-chlorophenyl)piperazin-1-yl]-3-cyclohexyl-1H-pyrimidine-2,4-dione
Molecular Formula	C20H25ClN4O2
Molecular Weight	388.9
XLogP	3.6
Topological Polar Surface Area	55.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	597

SMILES

C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H25ClN4O2/c21-15-5-4-8-17(13-15)23-9-11-24(12-10-23)18-14-19(26)25(20(27)22-18)16-6-2-1-3-7-16/h4-5,8,13-14,16H,1-3,6-7,9-12H2,(H,22,27)

InChIKey

CHMQQIFPOIZPIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 863588-32-3

CID: 3238389

Formula: C20H25ClN4O2

MW: 388.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.9
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	388.1666037
Monoisotopic Mass	388.1666037
Topological Polar Surface Area	55.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	597
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
BUP04102-01	SSR 180
OR1030214-01	Pigment Yellow 180
BIBL0067	BLUE Prestained Protein Marker 10-180 kDa
BIBL0066	3-Colour Prestained Protein Marker 10-180 kDa
BUP23627-01	ML 190
BUP01225-01	ML-?226
BUP12664-01	ML-210
BUP07260-01	ML-354
BUP06035-01	ML-323
BUP05696-01	ML-SI3

Catalog	Name
T12075-01	ML-180
A22701-50	ML-180 50mg
A22701-5	ML-180 5mg
A22701-100	ML-180 100mg
A22701-25	ML-180 25mg
A22701-2	ML-180 2mg
A22701-1	ML-180 1mg
A22701-10	ML-180 10mg
A22701-10mM-D	ML-180 10mM * 1mL in DMSO
D2004-3-180	Solution 3 Neutralizing Buffer (180 mL)