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Home Sulfos 4-(4-(tert-Butoxycarbonyl)piperazin-1-ylsulfonyl)benzoic acid

4-(4-(tert-Butoxycarbonyl)piperazin-1-ylsulfonyl)benzoic acid

CAS No.:
138385-00-9
Catalog Number:
AG00HVA1
Molecular Formula:
C16H22N2O6S
Molecular Weight:
370.4207
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
≥ 99% (HPLC)
1 week
United States
$170
- +
100mg
≥ 99% (HPLC)
1 week
United States
$288
- +
250mg
≥ 99% (HPLC)
1 week
United States
$507
- +
1g
≥ 99% (HPLC)
1 week
United States
$977
- +
Product Description
Catalog Number:
AG00HVA1
Chemical Name:
4-(4-(tert-Butoxycarbonyl)piperazin-1-ylsulfonyl)benzoic acid
CAS Number:
138385-00-9
Molecular Formula:
C16H22N2O6S
Molecular Weight:
370.4207
MDL Number:
MFCD07774152
IUPAC Name:
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylbenzoic acid
InChI:
InChI=1S/C16H22N2O6S/c1-16(2,3)24-15(21)17-8-10-18(11-9-17)25(22,23)13-6-4-12(5-7-13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)
InChI Key:
BXAHCUDDQZXTCY-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)O)OC(C)(C)C
Properties
Complexity:
591  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.12g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
370.42g/mol
Monoisotopic Mass:
370.12g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties