AG01ENMW

Name: 2-[[3-(Hexyloxy)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl]methylamino]-5-pyrimidinecarboxylicacid
Brand: Angene Chemical
SKU: AG01ENMW

457657-34-0 | 2-[[3-(Hexyloxy)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl]methylamino]-5-pyrimidinecarboxylicacid

Chemical structure of 2-[[3-(Hexyloxy)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl]methylamino]-5-pyrimidinecarboxylicacid, CAS 457657-34-0

AG01ENMW

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CAS Number	457657-34-0
Catalog Number	AG01ENMW(AGN-PC-0RU1YS)
Chemical Name	2-[[3-(Hexyloxy)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl]methylamino]-5-pyrimidinecarboxylicacid
IUPAC Name	2-[(3-hexoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-methylamino]pyrimidine-5-carboxylic acid
InChI	InChI=1S/C26H37N3O3/c1-7-8-9-10-13-32-22-15-20-19(25(2,3)11-12-26(20,4)5)14-21(22)29(6)24-27-16-18(17-28-24)23(30)31/h14-17H,7-13H2,1-6H3,(H,30,31)
InChI Key	JJUUTJCZMGZJDZ-UHFFFAOYSA-N
MDL Number	MFCD28133393
Molecular Formula	C26H37N3O3
Molecular Weight	439.5903
SMILES	C(CCCCC)OC=1C(=CC=2C(CCC(C2C1)(C)C)(C)C)N(C1=NC=C(C=N1)C(=O)O)C
Synonyms	PA 452, 457657-34-0, CHEMBL115097, PA452, compound 6b [PMID: 12139443], SCHEMBL502239, GTPL8905, BDBM50382930, PA-452, ZINC27072844, AKOS024458488, compound 9 [PMID: 24900278], NCGC00370994-02, 2-[(3-hexoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-methylamino]pyrimidine-5-carboxylic acid, 2-[[3-(Hexyloxy)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl]methylamino]-5-pyrimidinecarboxylic acid, 2-[[3-(Hexyloxy)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl]methylamino]-5-pyrimidinecarboxylicacid, CID9803242, CID 9803242,

Complexity	615
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	439.283g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	439.6g/mol
Monoisotopic Mass	439.283g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.2

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited