4-Chloro-7-(methylsulfonyl)quinazoline - CAS 1256955-28-8
Catalog: |
BB006232 |
Product Name: |
4-Chloro-7-(methylsulfonyl)quinazoline |
CAS: |
1256955-28-8 |
Synonyms: |
4-chloro-7-methylsulfonylquinazoline; 4-chloro-7-methylsulfonylquinazoline |
IUPAC Name: | 4-chloro-7-methylsulfonylquinazoline |
Description: | 4-Chloro-7-(methylsulfonyl)quinazoline (CAS# 1256955-28-8 ) is a useful research chemical. |
Molecular Weight: | 242.68 |
Molecular Formula: | C9H7ClN2O2S |
Canonical SMILES: | CS(=O)(=O)C1=CC2=C(C=C1)C(=NC=N2)Cl |
InChI: | InChI=1S/C9H7ClN2O2S/c1-15(13,14)6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3 |
InChI Key: | INGQXEVXIBNUJA-UHFFFAOYSA-N |
LogP: | 2.76750 |
Publication Number | Title | Priority Date |
JP-2013544829-A | Benzoxazepine as an inhibitor of PI3K / mTOR and use and method of preparation thereof | 20101124 |
KR-20130119950-A | Benxaxapine and its use and preparation methods as inhibitors of PI3K / mTOR | 20101124 |
US-2014107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | 20101124 |
EP-2640366-A2 | Benzoxazepines as inhibitors of pi3k/mtor and methods of their use and manufacture | 20101115 |
US-2014080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | 20101115 |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.9916763 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.9916763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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