Loxoprofen L-Methol Ester

CAT: 0572-TRC-M305190-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-M305190-1GSize:1 g

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CAS Number

1091621-63-4

Synonyms

Loxoprofen Related Compound 14; alpha-Methyl-4-[(2-oxocyclopentyl)methyl]-benzeneacetic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl Ester

Hazard Statement

Harmful if swallowed.

Purity

>95% (HPLC)

Smiles

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(C)c2ccc(CC3CCCC3=O)cc2

Molecular Formula

C25H36O3

Molecular Weight

384.56

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Loxoprofen L-Methol Ester

CAS Number	1091621-63-4
PubChem CID	146047953
IUPAC Name	[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate
Molecular Formula	C25H36O3
Molecular Weight	384.6
XLogP	6.2
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	532

SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C)C2=CC=C(C=C2)CC3CCCC3=O)C(C)C

InChI

InChI=1S/C25H36O3/c1-16(2)22-13-8-17(3)14-24(22)28-25(27)18(4)20-11-9-19(10-12-20)15-21-6-5-7-23(21)26/h9-12,16-18,21-22,24H,5-8,13-15H2,1-4H3/t17-,18?,21?,22+,24-/m1/s1

InChIKey

MNUZBJYKHVLXNM-NGSYBMAUSA-N

Chemical Structure

2D Structure

CAS: 1091621-63-4

CID: 146047953

Formula: C25H36O3

MW: 384.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	384.6
XLogP3	6.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	384.26644501
Monoisotopic Mass	384.26644501
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	532
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TRC-L472945-100MG	Loxoprofen Ethoxy Carbonyl Methyl Ester
TRC-C109164-100MG	Loxoprofen methyl-d3 ethyl ester
TRC-L472905-25MG	Loxoprofen
TRC-L472905-1G	Loxoprofen
TRC-L472905-100MG	Loxoprofen
TRC-H600505-250MG	L-Homophenylalanine Methyl Ester
TRC-H600505-50MG	L-Homophenylalanine Methyl Ester

Alternative Products

Catalog	Name
HY-W087207-01	Loxoprofen L-menthol ester
GDA76282-01	Loxoprofen methyl-d3 ethyl ester
AR-L07876-01	Loxoprofen Ethoxy Carbonyl Methyl Ester Impurity
FP161783	L-Phenylalanine methyl ester
TN6219	Diosbulbin L ethyl ester
282433-01	L-Tyrosine methyl ester
453459-01	L-Tryptophan Methyl Ester
sc-295341A	L-Tyrosine Ethyl ester
sc-235481	L-Tryptophan benzyl ester
sc-491146	L-Homophenylalanine Methyl Ester

Loxoprofen L-Methol Ester

Chemical Information

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