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CL1

CAT: 0127-BIPG1978-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BIPG1978-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1450888-71-7
Purity
98%
Smiles
CCCCCC=CCCCC (CCCC=CCCCCC) C (CCCC=CCCCCC) OC (=O) CCCCN (C) C

Chemical Information

Genevant CL1
CAS Number1450888-71-7
PubChem CID89775021
IUPAC Name[(6Z,16Z)-12-[(Z)-dec-4-enyl]docosa-6,16-dien-11-yl] 5-(dimethylamino)pentanoate
Molecular FormulaC39H73NO2
Molecular Weight588.0
XLogP13.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count32
Heavy Atom Count42
Formal Charge0
Complexity625
SMILES
CCCCC/C=C\CCCC(C(OC(=O)CCCCN(C)C)CCC/C=C\CCCCC)CCC/C=C\CCCCC
InChI
InChI=1S/C39H73NO2/c1-6-9-12-15-18-21-24-27-32-37(33-28-25-22-19-16-13-10-7-2)38(34-29-26-23-20-17-14-11-8-3)42-39(41)35-30-31-36-40(4)5/h18-23,37-38H,6-17,24-36H2,1-5H3/b21-18-,22-19-,23-20-
InChIKey
ARJCMRWHZPDQJG-ASSJVFBPSA-N
Chemical Structure
2D Structure
2D structure of Genevant CL1
CAS: 1450888-71-7
CID: 89775021
Formula: C39H73NO2
MW: 588.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.0
XLogP313.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count32
Exact Mass587.56413057
Monoisotopic Mass587.56413057
Topological Polar Surface Area29.5 Ų
Heavy Atom Count42
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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