Name: Name:An-3199
Brand: Angene
SKU: AG008TOC
Rating: 90 (10 reviews)

An-3199

CAS No.:

1187187-10-5

Catalog Number:

AG008TOC

Molecular Formula:

C17H18BNO5

Molecular Weight:

327.1395

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Product Description

Catalog Number:

AG008TOC

Chemical Name:

An-3199

CAS Number:

1187187-10-5

Molecular Formula:

C17H18BNO5

Molecular Weight:

327.1395

MDL Number:

MFCD29924720

IUPAC Name:

butyl 6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]pyridine-3-carboxylate

InChI:

InChI=1S/C17H18BNO5/c1-2-3-8-22-17(20)12-4-7-16(19-10-12)24-14-5-6-15-13(9-14)11-23-18(15)21/h4-7,9-10,21H,2-3,8,11H2,1H3

InChI Key:

BJXLLSAUQIAPDB-UHFFFAOYSA-N

SMILES:

CCCCOC(=O)c1ccc(nc1)Oc1ccc2c(c1)COB2O

Properties

Complexity:

424

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

327.128g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.143g/mol

Monoisotopic Mass:

327.128g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Design and synthesis of boron-containing PDE4 inhibitors using soft-drug strategy for potential dermatologic anti-inflammatory application.	Bioorganic & medicinal chemistry letters 20100401