Products for Research Use Only

CAY10711

CAT: 0013-GTR19190598-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190598-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CAY10711 is a broad-spectrum bactericidal diamine effective against MRSA, stationary-phase, and Gram-negative pathogens. It exhibits anti-biofilm activity against P. aeruginosa and shows synergy with kanamycin, demonstrating utility for in vitro and in vivo antimicrobial mechanism and combination therapy research.
CAS Number
1666171-29-4
Field of Research
Infectious Disease & Virology
Smiles
C (CNC (NCCCNCCCCCNCCCNC (NCC (C1=CC=CC=C1) C2=CC=CC=C2) =S) =S) (C3=CC=CC=C3) C4=CC=CC=C4
Molecular Formula
C41H54N6S2
Molecular Weight
695.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2,2-Diphenylethyl)-3-[3-[5-[3-(2,2-diphenylethylcarbamothioylamino)propylamino]pentylamino]propyl]thiourea
CAS Number1666171-29-4
PubChem CID71812226
IUPAC Name1-(2,2-diphenylethyl)-3-[3-[5-[3-(2,2-diphenylethylcarbamothioylamino)propylamino]pentylamino]propyl]thiourea
Molecular FormulaC41H54N6S2
Molecular Weight695.0
XLogP7.5
Topological Polar Surface Area136
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count4
Rotatable Bond Count22
Heavy Atom Count49
Formal Charge0
Complexity745
SMILES
C1=CC=C(C=C1)C(CNC(=S)NCCCNCCCCCNCCCNC(=S)NCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C41H54N6S2/c48-40(46-32-38(34-18-6-1-7-19-34)35-20-8-2-9-21-35)44-30-16-28-42-26-14-5-15-27-43-29-17-31-45-41(49)47-33-39(36-22-10-3-11-23-36)37-24-12-4-13-25-37/h1-4,6-13,18-25,38-39,42-43H,5,14-17,26-33H2,(H2,44,46,48)(H2,45,47,49)
InChIKey
GVBYQYRUQTVCSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,2-Diphenylethyl)-3-[3-[5-[3-(2,2-diphenylethylcarbamothioylamino)propylamino]pentylamino]propyl]thiourea
CAS: 1666171-29-4
CID: 71812226
Formula: C41H54N6S2
MW: 695.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight695.0
XLogP37.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count4
Rotatable Bond Count22
Exact Mass694.38513810
Monoisotopic Mass694.38513810
Topological Polar Surface Area136 Ų
Heavy Atom Count49
Formal Charge0
Complexity745
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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