Home Carbonyls 13-cis-N-[4-(Ethoxycarbonyl)phenyl]retinamide

13-cis-N-[4-(Ethoxycarbonyl)phenyl]retinamide

CAS No.:
251441-94-8
Catalog Number:
AG01EO0L
Molecular Formula:
C29H37NO3
Molecular Weight:
447.6090
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$210
- +
10mg
98%
1 week
United States
$265
- +
50mg
98%
1 week
United States
$682
- +
100mg
98%
1 week
United States
$1098
- +
Product Description
Catalog Number:
AG01EO0L
Chemical Name:
13-cis-N-[4-(Ethoxycarbonyl)phenyl]retinamide
CAS Number:
251441-94-8
Molecular Formula:
C29H37NO3
Molecular Weight:
447.6090
MDL Number:
MFCD31706231
IUPAC Name:
ethyl 4-[[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoate
InChI:
InChI=1S/C29H37NO3/c1-7-33-28(32)24-14-16-25(17-15-24)30-27(31)20-22(3)11-8-10-21(2)13-18-26-23(4)12-9-19-29(26,5)6/h8,10-11,13-18,20H,7,9,12,19H2,1-6H3,(H,30,31)/b11-8+,18-13+,21-10+,22-20-
InChI Key:
VRSMJNVXOITYPE-XWJHKTRCSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NC(=O)/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C
Properties
Complexity:
846  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4  
Exact Mass:
447.277g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
447.619g/mol
Monoisotopic Mass:
447.277g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8  
Properties