Home Sulfos 4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate

4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate

CAS No.:
202189-76-2
Catalog Number:
AG002845
Molecular Formula:
C23H29NO4S
Molecular Weight:
415.5457
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$13
- +
1g
97%
1 week
United States
$30
- +
Product Description
Catalog Number:
AG002845
Chemical Name:
4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl 4-methylbenzenesulfonate
CAS Number:
202189-76-2
Molecular Formula:
C23H29NO4S
Molecular Weight:
415.5457
IUPAC Name:
2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C23H29NO4S/c1-17-6-12-20(13-7-17)29(25,26)28-15-14-18-8-10-19(11-9-18)23(4,5)21-24-22(2,3)16-27-21/h6-13H,14-16H2,1-5H3
InChI Key:
BGUOPDZOVDIWLE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCCc1ccc(cc1)C(C1=NC(CO1)(C)C)(C)C
EC Number:
606-467-2
Properties
Complexity:
676  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.182g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.548g/mol
Monoisotopic Mass:
415.182g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties