Name: Name:4(1H)-Isoquinolinone, 2,3-dihydro-2-[(4-methylphenyl)sulfonyl]-
Brand: Angene
SKU: AG000NA5
Rating: 90 (10 reviews)

4(1H)-Isoquinolinone, 2,3-dihydro-2-[(4-methylphenyl)sulfonyl]-

CAS No.:

125159-93-5

Catalog Number:

AG000NA5

Molecular Formula:

C16H15NO3S

Molecular Weight:

301.3602

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

100mg

95%

In Stock USA

United States

$39

- +

250mg

95%

In Stock USA

United States

$69

- +

95%

In Stock USA

United States

$125

- +

Catalog Number:

AG000NA5

Chemical Name:

4(1H)-Isoquinolinone, 2,3-dihydro-2-[(4-methylphenyl)sulfonyl]-

CAS Number:

125159-93-5

Molecular Formula:

C16H15NO3S

Molecular Weight:

301.3602

MDL Number:

MFCD26940552

IUPAC Name:

2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinolin-4-one

InChI:

InChI=1S/C16H15NO3S/c1-12-6-8-14(9-7-12)21(19,20)17-10-13-4-2-3-5-15(13)16(18)11-17/h2-9H,10-11H2,1H3

InChI Key:

PBYCNZJUBOWCEO-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)N1CC(=O)c2c(C1)cccc2

Complexity:

488

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.36g/mol

Monoisotopic Mass:

301.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5