MAGL-IN-4

CAT: 0607-BA7957-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7957-25Size:25 mg

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

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CAS Number

2135785-20-3

Form

A solid

Molecular Formula

C18H21ClN2O4

Molecular Weight

364.82

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Magl-IN-4

CAS Number	2135785-20-3
PubChem CID	130475870
IUPAC Name	2-[3-[(3-chloro-4-methylphenyl)methoxy]azetidine-1-carbonyl]-7-oxa-5-azaspiro[3.4]octan-6-one
Molecular Formula	C18H21ClN2O4
Molecular Weight	364.8
XLogP	1.7
Topological Polar Surface Area	67.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	545

SMILES

CC1=C(C=C(C=C1)COC2CN(C2)C(=O)C3CC4(C3)COC(=O)N4)Cl

InChI

InChI=1S/C18H21ClN2O4/c1-11-2-3-12(4-15(11)19)9-24-14-7-21(8-14)16(22)13-5-18(6-13)10-25-17(23)20-18/h2-4,13-14H,5-10H2,1H3,(H,20,23)

InChIKey

AKBHYCHPWZPGAH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2135785-20-3

CID: 130475870

Formula: C18H21ClN2O4

MW: 364.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	364.8
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	364.1189848
Monoisotopic Mass	364.1189848
Topological Polar Surface Area	67.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	545
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
BA7956-25	MAGL-IN-1
BA7956-50	MAGL-IN-1
BA7956-10	MAGL-IN-1
BA7956-100	MAGL-IN-1
BA1952-1	4-Deoxy-4α-phorbol
BA9807-50	4-Hydroxy-4-methylcyclohexanone
B6001-100	4-Methylumbelliferone (4-MU)
B6001-500	4-Methylumbelliferone (4-MU)
B6001-5.1	4-Methylumbelliferone (4-MU)
C8681-100	4- (4-Acetyl-phenoxy) -butyric acid