Home Other Building Blocks 2-(4-Boc-piperazinyl)-2-(3-thienyl)acetic acid

2-(4-Boc-piperazinyl)-2-(3-thienyl)acetic acid

CAS No.:
885274-75-9
Catalog Number:
AG0089GL
Molecular Formula:
C15H22N2O4S
Molecular Weight:
326.4112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$123
- +
250mg
98%
In Stock USA
United States
$255
- +
1g
98%
In Stock USA
United States
$783
- +
Product Description
Catalog Number:
AG0089GL
Chemical Name:
2-(4-Boc-piperazinyl)-2-(3-thienyl)acetic acid
CAS Number:
885274-75-9
Molecular Formula:
C15H22N2O4S
Molecular Weight:
326.4112
MDL Number:
MFCD04115158
IUPAC Name:
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-thiophen-3-ylacetic acid
InChI:
InChI=1S/C15H22N2O4S/c1-15(2,3)21-14(20)17-7-5-16(6-8-17)12(13(18)19)11-4-9-22-10-11/h4,9-10,12H,5-8H2,1-3H3,(H,18,19)
InChI Key:
XNEYUEWSPCASNM-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C(c1ccsc1)C(=O)O)OC(C)(C)C
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.13g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.411g/mol
Monoisotopic Mass:
326.13g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties