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Ccc_R08

CAT: 1410-M36524-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M36524-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ccc_R08 is an orally available HBV cccDNA inhibitor that reduces extracellular levels of HBV DNA, HBsAg, and HBeAg in a dose-dependent manner. ccc_R08 is investigational for use in the treatment of HBV infections. ccc_R08 has been shown to be effective in the treatment of hepatitis C virus (HCV) .
CAS Number
2919019-72-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
414.84
Molecular Formula
C22H19ClO6
Notes
Research use only, not for human use.
Receptor
HBV

Chemical Information

cis-ccc_R08
CAS Number2919019-72-8
PubChem CID146443478
IUPAC Name3-[2-[4-(8-chloro-4-oxochromen-2-yl)phenoxy]ethoxy]cyclobutane-1-carboxylic acid
Molecular FormulaC22H19ClO6
Molecular Weight414.8
XLogP3.7
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity635
SMILES
C1C(CC1OCCOC2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=CC=C4)Cl)C(=O)O
InChI
InChI=1S/C22H19ClO6/c23-18-3-1-2-17-19(24)12-20(29-21(17)18)13-4-6-15(7-5-13)27-8-9-28-16-10-14(11-16)22(25)26/h1-7,12,14,16H,8-11H2,(H,25,26)
InChIKey
JFCQXBCQZCBQSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of cis-ccc_R08
CAS: 2919019-72-8
CID: 146443478
Formula: C22H19ClO6
MW: 414.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.8
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass414.0870160
Monoisotopic Mass414.0870160
Topological Polar Surface Area82.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T73440-01Ccc_R08
T72884-01Trans-ccc_R08
T73006-01Cis-ccc_R08

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