1,4-Dihydro-5-[5-(2-bromoacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one (may contain 5-(2-chloroacetyl)) - CAS 147676-94-6
Catalog: |
BB067669 |
Product Name: |
1,4-Dihydro-5-[5-(2-bromoacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one (may contain 5-(2-chloroacetyl)) |
CAS: |
147676-94-6 |
Synonyms: |
5-[5-(Bromoacetyl)-2-ethoxyphenyl]-1,4-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one |
IUPAC Name: | 5-[5-(2-bromoacetyl)-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one |
Description: | Intermediate in the preparation of pyrazolopyrimidinones as cGMP phosphodiesterase inhibitors. |
Molecular Weight: | 433.3 |
Molecular Formula: | C19H21BrN4O3 |
Canonical SMILES: | CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)C(=O)CBr)OCC)C |
InChI: | InChI=1S/C19H21BrN4O3/c1-4-6-13-16-17(24(3)23-13)19(26)22-18(21-16)12-9-11(14(25)10-20)7-8-15(12)27-5-2/h7-9H,4-6,10H2,1-3H3,(H,21,22,26) |
InChI Key: | PIASSJCOLPSEOA-UHFFFAOYSA-N |
Melting Point: | 157-159°C |
Solubility: | DMSO (Slightly), Methanol (Very Slightly, Heated) |
Appearance: | Off-White to Light Beige Solid |
Storage: | -20°C Freezer, Under inert atmosphere |
Complexity: | 600 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 432.0797 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 432.0797 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 85.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
-
Catalog: BB071775
((1R,4R)-4-(((tert-butyldimethylsilyl)oxy)methyl)cyclohexyl)methanol
Detail
-
Catalog: BB069928
((2S,4R)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB064244
((2S,3R)-4-(4-(((((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl)oxy)carbonyl)amino)-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamic Acid Phenylmethyl Ester
Detail
-
Catalog: BB069173
((1-Chloro-2-methylpropan-2-yl)oxy)trimethylsilane
Detail
-
Catalog: BB069926
((2R,4R)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
-
Catalog: BB072640
((2R,3S,4R,5R)-5-(4-(Benzyloxy)-2-oxopyridin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl bis(2-cyanoethyl) Phosphate
Detail
-
Catalog: BB072639
((2R,3S,4R,5R)-5-(4-(Benzyloxy)-2-oxopyridin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl Dihydrogen Phosphate
Detail
-
Catalog: BB069927
((2R,4S)-2-(Chloromethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-Methylbenzenesulfonate
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS