Name: Name:4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
Brand: Angene
SKU: AG00I69M
Rating: 90 (10 reviews)

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid

CAS No.:

328038-27-3

Catalog Number:

AG00I69M

Molecular Formula:

C13H17NO5S

Molecular Weight:

299.3428

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Purity

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Product Description

Catalog Number:

AG00I69M

Chemical Name:

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid

CAS Number:

328038-27-3

Molecular Formula:

C13H17NO5S

Molecular Weight:

299.3428

MDL Number:

MFCD02705286

IUPAC Name:

4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid

InChI:

InChI=1S/C13H17NO5S/c1-9-7-14(8-10(2)19-9)20(17,18)12-5-3-11(4-6-12)13(15)16/h3-6,9-10H,7-8H2,1-2H3,(H,15,16)

InChI Key:

KUPQRFNEGVYXAT-UHFFFAOYSA-N

SMILES:

CC1OC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)O

Properties

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

299.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

299.341g/mol

Monoisotopic Mass:

299.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties