CAS
97337-88-7 Purity
96%
97337-88-7 Purity
96%
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N-(3-(((4,5-Dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)carbonyl)phenyl)-n2-(2-methylpropionyl)-n2-octadecyl-dl-asparagine
CAS
97337-92-3
Catalog Number
ACM97337923
Category
Other Products
Molecular Weight
835.29882
Molecular Formula
C42H58Cl3N5O6
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Specification
Synonyms
EINECS 306-587-2, 97337-92-3, N-(3-(((4,5-Dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)carbonyl)phenyl)-N2-(2-methylpropionyl)-N2-octadecyl-DL-asparagine
IUPAC Name
2-[2-methylpropanoyl(octadecyl)amino]-4-oxo-4-[3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]carbamoyl]anilino]butanoic acid
InChI Key
AMBHRCZUHVVLOU-UHFFFAOYSA-N
Density
1.25g/cm³
Exact Mass
833.34500
H-Bond Acceptor
7
H-Bond Donor
3
What is the molecular formula of the compound?
The molecular formula is C42H58Cl3N5O6.
When was the compound created and last modified?
The compound was created on August 20, 2009, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 2-[2-methylpropanoyl(octadecyl)amino]-4-oxo-4-[3-[[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]carbamoyl]anilino]butanoic acid.
What is the InChIKey of the compound?
The InChIKey is AMBHRCZUHVVLOU-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in the compound?
There are 3 hydrogen bond donor counts.
What is the XLogP3-AA value?
The XLogP3-AA value is 12.2.
What is the exact mass of the compound?
The exact mass is 833.345268 g/mol.
How many rotatable bond counts are there in the compound?
There are 26 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 149 Ų.
How many defined atom stereocenter counts are there in the compound?
There are 0 defined atom stereocenter counts.
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CAS
97338-00-6 Purity
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97338-00-6 Purity
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