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Ambrisentan Methyl Ester

CAT: 0572-TRC-A575871-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A575871-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1106685-61-3
Synonyms
(+)-(2S)-2-[(4,6-Dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic Acid Methyl Ester; (S)-Methyl 2-((4,6-Dimethylpyrimidin-2-yl)-oxy)-3-methoxy-3,3-diphenylpropanoate;
Hazard Statement
May damage fertility or the unborn child
Purity
>95% (HPLC)
Smiles
COC(=O)[C@@H](Oc1nc(C)cc(C)n1)C(OC)(c2ccccc2)c3ccccc3
Molecular Formula
C23H24N2O4
Molecular Weight
392.45
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(S)-Methyl 2-((4,6-dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoate
CAS Number1106685-61-3
PubChem CID46244104
IUPAC Namemethyl (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoate
Molecular FormulaC23H24N2O4
Molecular Weight392.4
XLogP4.1
Topological Polar Surface Area70.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity489
SMILES
CC1=CC(=NC(=N1)O[C@H](C(=O)OC)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C
InChI
InChI=1S/C23H24N2O4/c1-16-15-17(2)25-22(24-16)29-20(21(26)27-3)23(28-4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,20H,1-4H3/t20-/m1/s1
InChIKey
RCOLWOXJIUGEGI-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of (S)-Methyl 2-((4,6-dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoate
CAS: 1106685-61-3
CID: 46244104
Formula: C23H24N2O4
MW: 392.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass392.17360725
Monoisotopic Mass392.17360725
Topological Polar Surface Area70.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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