AGN 193109 Ethyl Ester

CAT: 0572-TRC-A427010-1MGSize: 1 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-A427010-1MGSize:1 mg

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CAS Number

171568-43-7

Synonyms

AGN 193109 Ethyl Ester

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

CCOC(=O)c1ccc(cc1)C#Cc2ccc3c(c2)C(=CCC3(C)C)c4ccc(C)cc4

Molecular Formula

C30H28O2

Molecular Weight

420.54

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

AGN 193109 Ethyl Ester

CAS Number	171568-43-7
PubChem CID	11796412
IUPAC Name	ethyl 4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoate
Molecular Formula	C30H28O2
Molecular Weight	420.5
XLogP	7.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	746

SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3C4=CC=C(C=C4)C)(C)C

InChI

InChI=1S/C30H28O2/c1-5-32-29(31)25-15-10-22(11-16-25)8-9-23-12-17-28-27(20-23)26(18-19-30(28,3)4)24-13-6-21(2)7-14-24/h6-7,10-18,20H,5,19H2,1-4H3

InChIKey

YQBZMGXOWNSVJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 171568-43-7

CID: 11796412

Formula: C30H28O2

MW: 420.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	420.5
XLogP3	7.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	420.208930132
Monoisotopic Mass	420.208930132
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	746
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

Related Products

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TRC-A427040-50MG	AGN 193109
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sc-207265	AGN 193109 Ethyl Ester
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QHA73039-01	Bepotastine ethyl ester
MDA47554-01	Bendamustine ethyl ester
574742	Ibuprofen ethyl ester
HY-75385-01	Zaurategrast ethyl ester
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AGN 193109 Ethyl Ester

Chemical Information

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