1,5-Dichloroisoquinoline - CAS 70810-23-0
Catalog: |
BB034239 |
Product Name: |
1,5-Dichloroisoquinoline |
CAS: |
70810-23-0 |
Synonyms: |
1,5-dichloroisoquinoline; 1,5-dichloroisoquinoline |
IUPAC Name: | 1,5-dichloroisoquinoline |
Description: | 1,5-Dichloroisoquinoline (CAS# 70810-23-0) is used to prepare oral tripeptidic acylsulfonamide NS3 protease inhibitors for the treatment of hepatitis C. |
Molecular Weight: | 198.05 |
Molecular Formula: | C9H5Cl2N |
Canonical SMILES: | C1=CC2=C(C=CN=C2Cl)C(=C1)Cl |
InChI: | InChI=1S/C9H5Cl2N/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5H |
InChI Key: | IKLNCVLTIQMRDB-UHFFFAOYSA-N |
Boiling Point: | 327.7 °C at 760 mmHg |
Density: | 1.407 g/cm3 |
LogP: | 3.54160 |
Publication Number | Title | Priority Date |
WO-2016120808-A1 | Heteroarylaminoisoquinolines, methods for their preparation and therapeutic uses thereof | 20150128 |
CN-104918941-A | Hepatitis c virus inhibitors | 20121019 |
CN-103797024-A | Hepatitis c virus inhibitors | 20110505 |
EP-2601188-B1 | Hepatitis c virus inhibitors | 20100804 |
KR-101743280-B1 | Cyclohexyl-azetidinyl antagonists of ccr2 | 20100617 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.9799046 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.9799046 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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