sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks I2906

I2906

CAS No.:
331963-29-2
Catalog Number:
AG00C6FV
Molecular Formula:
C25H37N3O4
Molecular Weight:
443.5790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
99%
1 week
United States
$243
- +
500mg
99%
1 week
United States
$676
- +
Product Description
Catalog Number:
AG00C6FV
Chemical Name:
I2906
CAS Number:
331963-29-2
Molecular Formula:
C25H37N3O4
Molecular Weight:
443.5790
MDL Number:
MFCD01128075
IUPAC Name:
1-ethyl-4-hydroxy-2-oxo-N'-tridecanoylquinoline-3-carbohydrazide
InChI:
InChI=1S/C25H37N3O4/c1-3-5-6-7-8-9-10-11-12-13-18-21(29)26-27-24(31)22-23(30)19-16-14-15-17-20(19)28(4-2)25(22)32/h14-17,30H,3-13,18H2,1-2H3,(H,26,29)(H,27,31)
InChI Key:
WIEYSVJHCLJOJT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(c1=O)CC
Properties
Complexity:
662  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.278g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
443.588g/mol
Monoisotopic Mass:
443.278g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7  
Literature
Title Journal
In vitro and in vivo activities of a new lead compound I2906 against Mycobacterium tuberculosis. Pharmacology 20100101
Properties