AG019HO1

Name: 2-(Adamantan-1-ylcarbamoylmethylsulfanyl)-benzoic acid
Brand: Angene Chemical
SKU: AG019HO1

721406-60-6 | 2-(Adamantan-1-ylcarbamoylmethylsulfanyl)-benzoic acid

AG019HO1

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CAS Number	721406-60-6
Catalog Number	AG019HO1
Chemical Name	2-(Adamantan-1-ylcarbamoylmethylsulfanyl)-benzoic acid
IUPAC Name	2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoic acid
InChI	InChI=1S/C19H23NO3S/c21-17(11-24-16-4-2-1-3-15(16)18(22)23)20-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,21)(H,22,23)
InChI Key	VFTFNANXAXYBHK-UHFFFAOYSA-N
MDL Number	MFCD03949351
Molecular Formula	C19H23NO3S
Molecular Weight	345.4558
SMILES	OC(C1=C(SCC(NC23CC4CC(C2)CC(C4)C3)=O)C=CC=C1)=O
Synonyms	2-({[(adamantan-1-yl)carbamoyl]methyl}sulfanyl)benzoic acid, 721406-60-6, 2-(Adamantan-1-ylcarbamoylmethylsulfanyl)-benzoic acid, Enamine_004160, AC1MYTI4, AC1Q72LZ, MLS000776217, CHEMBL1727703, CTK7G4249, HMS1405N02, HMS2752J15, ZINC3885971, AKOS034448690, MCULE-7656797794, NE27019, SMR000371226, EN300-04164, SR-01000036604, SR-01000036604-1, Z55950634, 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzoic acid, CID3837339,

Complexity	480
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	345.14g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	345.457g/mol
Monoisotopic Mass	345.14g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	91.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited