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MRNA-Encapsulating Lipid Excipient 1

CAT: 0013-GTR19232566-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232566-01Size:25 mg
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Description
MRNA-Encapsulating Lipid Excipient 1 (Compound 2) is a thiocarbamate-based ionizable lipid utilized for formulating mRNA lipid nanoparticles (LNPs) . It is a key component for research in mRNA delivery, enabling both in vitro transfection studies and in vivo therapeutic applications such as vaccine and protein replacement therapy development.
CAS Number
2230647-37-5
Product Name Alternative
ATX-100, ATX100, ATX 100
Field of Research
Metabolism Research
Smiles
N (C (SCCCN (C) C) =O) (CCCC (OC (CCCCCCC) CCCCCCC) =O) CCCC (OC (CCCCCCC) CCCCCCC) =O
Molecular Formula
C44H86N2O5S
Molecular Weight
755.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pentadecan-8-YL 4-(3-(dimethylamino)propylsulfanylcarbonyl-(4-oxo-4-pentadecan-8-yloxybutyl)amino)butanoate
CAS Number2230647-37-5
PubChem CID135130532
IUPAC Namepentadecan-8-yl 4-[3-(dimethylamino)propylsulfanylcarbonyl-(4-oxo-4-pentadecan-8-yloxybutyl)amino]butanoate
Molecular FormulaC44H86N2O5S
Molecular Weight755.2
XLogP15.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count41
Heavy Atom Count52
Formal Charge0
Complexity746
SMILES
CCCCCCCC(CCCCCCC)OC(=O)CCCN(CCCC(=O)OC(CCCCCCC)CCCCCCC)C(=O)SCCCN(C)C
InChI
InChI=1S/C44H86N2O5S/c1-7-11-15-19-23-30-40(31-24-20-16-12-8-2)50-42(47)34-27-37-46(44(49)52-39-29-36-45(5)6)38-28-35-43(48)51-41(32-25-21-17-13-9-3)33-26-22-18-14-10-4/h40-41H,7-39H2,1-6H3
InChIKey
HAWZMEVIHSUELL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentadecan-8-YL 4-(3-(dimethylamino)propylsulfanylcarbonyl-(4-oxo-4-pentadecan-8-yloxybutyl)amino)butanoate
CAS: 2230647-37-5
CID: 135130532
Formula: C44H86N2O5S
MW: 755.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight755.2
XLogP315.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count41
Exact Mass754.62574502
Monoisotopic Mass754.62574502
Topological Polar Surface Area101 Ų
Heavy Atom Count52
Formal Charge0
Complexity746
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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