sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4E1RCat

4E1RCat

CAS No.:
328998-25-0
Catalog Number:
AG00C0XE
Molecular Formula:
C28H18N2O6
Molecular Weight:
478.4523
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
98%
1 week
United States
$168
- +
10mg
98%
1 week
United States
$210
- +
50mg
98%
1 week
United States
$404
- +
100mg
98%
1 week
United States
$682
- +
Product Description
Catalog Number:
AG00C0XE
Chemical Name:
4E1RCat
CAS Number:
328998-25-0
Molecular Formula:
C28H18N2O6
Molecular Weight:
478.4523
MDL Number:
MFCD01931282
IUPAC Name:
4-[(3E)-3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
InChI:
InChI=1S/C28H18N2O6/c31-27-21(16-24-14-15-26(36-24)19-6-12-23(13-7-19)30(34)35)17-25(18-4-2-1-3-5-18)29(27)22-10-8-20(9-11-22)28(32)33/h1-17H,(H,32,33)/b21-16+
InChI Key:
BBQRBOIMSKMFFO-LTGZKZEYSA-N
SMILES:
OC(=O)c1ccc(cc1)N1C(=O)/C(=C\c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/C=C1c1ccccc1
Properties
Complexity:
902  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
478.116g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
478.46g/mol
Monoisotopic Mass:
478.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
Title Journal
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