Home Other Building Blocks 3-(4-Bromo-3-[1,3]dioxolan-2-yl-benzyl)-2-butyl-1,3-diaza-spiro[4.4]non-1-en-4-one

3-(4-Bromo-3-[1,3]dioxolan-2-yl-benzyl)-2-butyl-1,3-diaza-spiro[4.4]non-1-en-4-one

CAS No.:
254744-55-3
Catalog Number:
AG019EY0
Molecular Formula:
C21H27BrN2O3
Molecular Weight:
435.3547
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$265
- +
250mg
95%
In Stock USA
United States
$441
- +
1g
95%
In Stock USA
United States
$882
- +
Product Description
Catalog Number:
AG019EY0
Chemical Name:
3-(4-Bromo-3-[1,3]dioxolan-2-yl-benzyl)-2-butyl-1,3-diaza-spiro[4.4]non-1-en-4-one
CAS Number:
254744-55-3
Molecular Formula:
C21H27BrN2O3
Molecular Weight:
435.3547
MDL Number:
MFCD20270118
IUPAC Name:
3-[[4-bromo-3-(1,3-dioxolan-2-yl)phenyl]methyl]-2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one
InChI:
InChI=1S/C21H27BrN2O3/c1-2-3-6-18-23-21(9-4-5-10-21)20(25)24(18)14-15-7-8-17(22)16(13-15)19-26-11-12-27-19/h7-8,13,19H,2-6,9-12,14H2,1H3
InChI Key:
XQNFMIRCNYNJRD-UHFFFAOYSA-N
SMILES:
CCCCC1=NC2(C(=O)N1Cc1ccc(c(c1)C1OCCO1)Br)CCCC2
Properties
Complexity:
570  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.121g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.362g/mol
Monoisotopic Mass:
434.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties