Products for Research Use Only
RegisterLogin

TMC647055

CAT: 0926-EYB41697-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-EYB41697-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1204416-97-6
Smiles
CN1CCOCCN (S (=O) (=O) NC (=O) C2=CC3=C (C=C2) C (=C4N3CC (=CC5=C4C=CC (=C5) OC) C1=O) C6CCCCC6) C
Molecular Formula
C32H38N4O6S
Molecular Weight
606.7 g/mol
Controlled
No

Chemical Information

Tmc-647055

TMC647055 has been used in trials studying the treatment of Hepatitis C, Chronic Hepatitis C, Hepatitis C, Chronic, and Chronic Hepatitis C Virus.

CAS Number1204416-97-6
PubChem CID44556044
IUPAC Name28-cyclohexyl-22-methoxy-10,16-dimethyl-9,9-dioxo-13-oxa-9lambda6-thia-1,8,10,16-tetrazapentacyclo[16.8.1.12,6.13,26.020,25]nonacosa-2,4,6(29),18,20(25),21,23,26(28)-octaene-7,17-dione
Molecular FormulaC32H38N4O6S
Molecular Weight606.7
XLogP4.2
Topological Polar Surface Area119
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count43
Formal Charge0
Complexity1170
SMILES
CN1CCOCCN(S(=O)(=O)NC(=O)C2=CC3=C(C=C2)C(=C4N3CC(=CC5=C4C=CC(=C5)OC)C1=O)C6CCCCC6)C
InChI
InChI=1S/C32H38N4O6S/c1-34-13-15-42-16-14-35(2)43(39,40)33-31(37)22-9-11-27-28(19-22)36-20-24(32(34)38)17-23-18-25(41-3)10-12-26(23)30(36)29(27)21-7-5-4-6-8-21/h9-12,17-19,21H,4-8,13-16,20H2,1-3H3,(H,33,37)
InChIKey
UOBYJVFBFSLCTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tmc-647055
CAS: 1204416-97-6
CID: 44556044
Formula: C32H38N4O6S
MW: 606.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight606.7
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass606.25120612
Monoisotopic Mass606.25120612
Topological Polar Surface Area119 Ų
Heavy Atom Count43
Formal Charge0
Complexity1170
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
526950TMC647055
GTR19204617-01TMC647055 Choline salt
HY-15591A-01TMC647055 (Choline salt)
T21537L-01TMC647055 Choline Hydroxide Salt

Popular Products