Products for Research Use Only

UbcH5c-IN-1 5mg

CAT: 0628-A19784-5Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A19784-5Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2123480-72-6

Chemical Information

UbcH5c-IN-1
CAS Number2123480-72-6
PubChem CID132585258
IUPAC Name(3aS,9bR)-8-[(2-bromophenyl)methoxy]-6,9-dimethyl-3-methylidene-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2-one
Molecular FormulaC22H21BrO3
Molecular Weight413.3
XLogP5.3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity562
SMILES
CC1=CC(=C(C2=C1CC[C@@H]3[C@H]2OC(=O)C3=C)C)OCC4=CC=CC=C4Br
InChI
InChI=1S/C22H21BrO3/c1-12-10-19(25-11-15-6-4-5-7-18(15)23)14(3)20-16(12)8-9-17-13(2)22(24)26-21(17)20/h4-7,10,17,21H,2,8-9,11H2,1,3H3/t17-,21+/m0/s1
InChIKey
IRBNWCSCHCJSLT-LAUBAEHRSA-N
Chemical Structure
2D Structure
2D structure of UbcH5c-IN-1
CAS: 2123480-72-6
CID: 132585258
Formula: C22H21BrO3
MW: 413.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight413.3
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass412.06741
Monoisotopic Mass412.06741
Topological Polar Surface Area35.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes