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125697-93-0 | Benzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl]amino]-2-hydroxy-
CAS No: 125697-93-0 Catalog No: AG000OIA MDL No:MFCD00153955
Product Description
Catalog Number:
AG000OIA
Chemical Name:
Benzoic acid, 5-[[(2,5-dihydroxyphenyl)methyl]amino]-2-hydroxy-
CAS Number:
125697-93-0
Molecular Formula:
C14H13NO5
Molecular Weight:
275.2567
MDL Number:
MFCD00153955
IUPAC Name:
5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoic acid
InChI:
InChI=1S/C14H13NO5/c16-10-2-4-12(17)8(5-10)7-15-9-1-3-13(18)11(6-9)14(19)20/h1-6,15-18H,7H2,(H,19,20)
InChI Key:
LULATDWLDJOKCX-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)CNc1ccc(c(c1)C(=O)O)O)O
UNII:
HJM06BIW5M
NSC Number:
666251
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
275.26g/mol
Monoisotopic Mass:
275.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Small-molecule inhibitors of NADPH oxidase 4. | Journal of medicinal chemistry 20100923 |
| A rapid synthesis of lavendustin-mimetic small molecules by click fragment assembly. | Bioorganic & medicinal chemistry letters 20100701 |
| A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. | Proceedings of the National Academy of Sciences of the United States of America 20071218 |
| Adenosine mimetics as inhibitors of NAD+-dependent histone deacetylases, from kinase to sirtuin inhibition. | Journal of medicinal chemistry 20061214 |
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