6-Chloro-7-isopropyl-7H-purin-8(9H)-one - CAS 1226804-22-3
Catalog: |
BB005457 |
Product Name: |
6-Chloro-7-isopropyl-7H-purin-8(9H)-one |
CAS: |
1226804-22-3 |
Synonyms: |
6-chloro-7-propan-2-yl-9H-purin-8-one; 6-chloro-7-propan-2-yl-9H-purin-8-one |
IUPAC Name: | 6-chloro-7-propan-2-yl-9H-purin-8-one |
Description: | 6-Chloro-7-isopropyl-7H-purin-8(9H)-one (CAS# 1226804-22-3) is a useful research chemical. |
Molecular Weight: | 212.64 |
Molecular Formula: | C8H9ClN4O |
Canonical SMILES: | CC(C)N1C2=C(NC1=O)N=CN=C2Cl |
InChI: | InChI=1S/C8H9ClN4O/c1-4(2)13-5-6(9)10-3-11-7(5)12-8(13)14/h3-4H,1-2H3,(H,10,11,12,14) |
InChI Key: | ZGMXLNRHNYAKHX-UHFFFAOYSA-N |
LogP: | 1.35390 |
Publication Number | Title | Priority Date |
CA-2743019-C | Akt and p70 s6 kinase inhibitors | 20081111 |
EA-018947-B1 | ACTIVE AND P70 S6 KINASE INHIBITORS | 20081111 |
EP-2358710-B1 | Akt and p70 s6 kinase inhibitors | 20081111 |
ES-2391704-T3 | AKT and P70 S6 kinase inhibitors | 20081111 |
PT-2358710-E | AKT AND P70 S6 KINETIC INHIBITORS | 20081111 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.0464886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0464886 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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