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Home Carboxys 3-Pyridinecarboxylic acid,(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester, rel-

3-Pyridinecarboxylic acid,(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester, rel-

CAS No.:
51898-34-1
Catalog Number:
AG00I9A6
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
>99%(HPLC)
In Stock USA
United States
$47
- +
100mg
>99%(HPLC)
In Stock USA
United States
$82
- +
Product Description
Catalog Number:
AG00I9A6
Chemical Name:
3-Pyridinecarboxylic acid,(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-yl ester, rel-
CAS Number:
51898-34-1
MDL Number:
MFCD03548047
IUPAC Name:
[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate
InChI:
InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1
InChI Key:
MSCCTZZBYHQMQJ-AZAGJHQNSA-N
UNII:
WI1J5UCY5C
Properties
Complexity:
725  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
535.403g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
535.813g/mol
Monoisotopic Mass:
535.403g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4  
Literature
Title Journal
Colloid formation by drugs in simulated intestinal fluid. Journal of medicinal chemistry 20100527
[Enhancing effects of ion-pair complexes on skin permeation of cromolyn in vitro]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20020901
Properties