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LYN-1604

CAT: 0926-NID93999-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-NID93999-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2088939-99-3
MDL Number
MFCD31619235
Smiles
CC (C) CN (CC (C) C) CC (=O) N1CCN (CC1) CC (C2=C (C=C (C=C2) Cl) Cl) OCC3=CC4=CC=CC=C4C=C3
Molecular Formula
C33H45Cl4N3O2
Molecular Weight
657.54 g/mol
Controlled
No

Chemical Information

LYN-1604 free base
CAS Number2088939-99-3
PubChem CID131801113
IUPAC Name2-[bis(2-methylpropyl)amino]-1-[4-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]piperazin-1-yl]ethanone
Molecular FormulaC33H43Cl2N3O2
Molecular Weight584.6
XLogP7.6
Topological Polar Surface Area36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count40
Formal Charge0
Complexity750
SMILES
CC(C)CN(CC(C)C)CC(=O)N1CCN(CC1)CC(C2=C(C=C(C=C2)Cl)Cl)OCC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C33H43Cl2N3O2/c1-24(2)19-37(20-25(3)4)22-33(39)38-15-13-36(14-16-38)21-32(30-12-11-29(34)18-31(30)35)40-23-26-9-10-27-7-5-6-8-28(27)17-26/h5-12,17-18,24-25,32H,13-16,19-23H2,1-4H3
InChIKey
DVNVYWLKGWAELS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LYN-1604 free base
CAS: 2088939-99-3
CID: 131801113
Formula: C33H43Cl2N3O2
MW: 584.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.6
XLogP37.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass583.2732330
Monoisotopic Mass583.2732330
Topological Polar Surface Area36 Ų
Heavy Atom Count40
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS3603261-01LYN-1604
HY-101923A-01LYN-1604 (hydrochloride)
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