YK-3-237

CAT: 0607-BA4516-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4516-10Size:10 mg

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

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CAS Number

1215281-19-8

Form

A solid

Molecular Formula

C19H21BO7

Molecular Weight

372.18

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

B-(2-Methoxy-5-(3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propen-1-yl)phenyl)boronic acid

a SIRT1 activator; structure in first source

CAS Number	1215281-19-8
PubChem CID	24881094
IUPAC Name	[2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenyl]boronic acid
Molecular Formula	C19H21BO7
Molecular Weight	372.2
Topological Polar Surface Area	94.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	484

SMILES

B(C1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC)(O)O

InChI

InChI=1S/C19H21BO7/c1-24-16-8-6-12(9-14(16)20(22)23)5-7-15(21)13-10-17(25-2)19(27-4)18(11-13)26-3/h5-11,22-23H,1-4H3/b7-5+

InChIKey

AKNGHUAJAODDJA-FNORWQNLSA-N

Chemical Structure

2D Structure

CAS: 1215281-19-8

CID: 24881094

Formula: C19H21BO7

MW: 372.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	372.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	372.1380332
Monoisotopic Mass	372.1380332
Topological Polar Surface Area	94.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	484
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes