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YM-750

CAT: 0127-BUP09855-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09855-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138046-43-2
Synonyms
YM 750
Purity
=98%
Smiles
Cc1cc(C)c(NC(=O)N(Cc2ccc-3c(Cc4ccccc-34)c2)C2CCCCCC2)c(C)c1

Chemical Information

1-cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CAS Number138046-43-2
PubChem CID9911716
IUPAC Name1-cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
Molecular FormulaC31H36N2O
Molecular Weight452.6
XLogP7.7
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity658
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC3=C(C=C2)C4=CC=CC=C4C3)C5CCCCCC5)C
InChI
InChI=1S/C31H36N2O/c1-21-16-22(2)30(23(3)17-21)32-31(34)33(27-11-6-4-5-7-12-27)20-24-14-15-29-26(18-24)19-25-10-8-9-13-28(25)29/h8-10,13-18,27H,4-7,11-12,19-20H2,1-3H3,(H,32,34)
InChIKey
FMLJREWZCZHGGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CAS: 138046-43-2
CID: 9911716
Formula: C31H36N2O
MW: 452.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.6
XLogP37.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass452.282763776
Monoisotopic Mass452.282763776
Topological Polar Surface Area32.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity658
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

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Alternative Products

CatalogName
B7250-50YM 750
MBS3616327-01YM-750
A11395-10YM 750 10mg
A11395-200YM 750 200mg
A11395-50YM 750 50mg
A11395-5YM 750 5mg
A11395-2YM 750 2mg
A11395-100YM 750 100mg
A11395-25YM 750 25mg
A11395-10mM-DYM 750 10mM * 1mL in DMSO

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