Name: Name:2-(3,3-Dimethyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione
Brand: Angene
SKU: AG00F0DS
Rating: 90 (10 reviews)

2-(3,3-Dimethyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione

CAS No.:

56658-35-6

Catalog Number:

AG00F0DS

Molecular Formula:

C14H15NO3

Molecular Weight:

245.2738

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

95%

1 week

United States

$349

- +

95%

1 week

United States

$817

- +

Product Description

Catalog Number:

AG00F0DS

Chemical Name:

2-(3,3-Dimethyl-2-oxobutyl)-1h-isoindole-1,3(2h)-dione

CAS Number:

56658-35-6

Molecular Formula:

C14H15NO3

Molecular Weight:

245.2738

MDL Number:

MFCD01934804

IUPAC Name:

2-(3,3-dimethyl-2-oxobutyl)isoindole-1,3-dione

InChI:

InChI=1S/C14H15NO3/c1-14(2,3)11(16)8-15-12(17)9-6-4-5-7-10(9)13(15)18/h4-7H,8H2,1-3H3

InChI Key:

HAFOAXRAJBJRMB-UHFFFAOYSA-N

SMILES:

O=C(C(C)(C)C)CN1C(=O)c2c(C1=O)cccc2

NSC Number:

195965

Properties

Complexity:

370

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.278g/mol

Monoisotopic Mass:

245.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties