AC-73

CAT: 0127-BUP09054-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09054-04Size:50 mg

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

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CAS Number

775294-71-8

Purity

=98%

Smiles

OC(CNCc1ccc(cc1)-c1ccccc1)c1cccc(O)c1

Chemical Information

3-(1-Hydroxy-2-((4-phenylphenyl)methylamino)ethyl)phenol

CAS Number	775294-71-8
PubChem CID	2989791
IUPAC Name	3-[1-hydroxy-2-[(4-phenylphenyl)methylamino]ethyl]phenol
Molecular Formula	C21H21NO2
Molecular Weight	319.4
XLogP	2.8
Topological Polar Surface Area	52.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	348

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CNCC(C3=CC(=CC=C3)O)O

InChI

InChI=1S/C21H21NO2/c23-20-8-4-7-19(13-20)21(24)15-22-14-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13,21-24H,14-15H2

InChIKey

UECKKYNEEBRMIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 775294-71-8

CID: 2989791

Formula: C21H21NO2

MW: 319.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	319.4
XLogP3	2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	319.157228913
Monoisotopic Mass	319.157228913
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	348
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP04200-01	CDKI-73
BUP10255-01	Anticancer agent 73
BUP07810-01	BAY 73-1449
OR1012209-01	Acid Red 73
OR36382-01	Ac-Lys (Ac) -OH
PC110405-01	(S) -BAY 73-6691
OR1024660-01	Dabigatran Etexilate Impurity 73 Hydrochloride
OR1026543-01	Ac-55541
BUP10549-01	AC-262536
BUP16256-01	AC-55649