(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate
TL;DR: (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate (CAS 4561-61-9) is a chemical compound with molecular formula C24H32NO3S+ and molecular weight 414.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate
Also Known As: (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate, 1-[({5-[(Benzylsulfanyl)methyl]furan-2-carbonyl}oxy)methyl]-5-methyloctahydro-2H-quinolizin-5-ium
| Molecular Formula | C24H32NO3S+ |
|---|---|
| Molecular Weight | 414.21 g/mol |
| LogP | 5.2789 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.2103 |
| Heavy Atoms | 29 |
| Complexity | 801.4669 |
Chemical Identifiers
| CAS Number | 4561-61-9 |
|---|---|
| SMILES | C[N+]12CCCCC1C(CCC2)COC(=O)C3=CC=C(O3)CSCC4=CC=CC=C4 |
Product Overview
(5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate (CAS 4561-61-9), with molecular formula C24H32NO3S+ and molecular weight 414.21 g/mol. IUPAC: (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate.
Chemical Property Profile of (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate
Property Insights of (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate
The XLogP value of 5.2789 indicates that (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.44 Ų, (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate?
The CAS number of (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate is 4561-61-9.
What is the molecular formula of (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate?
The molecular formula of (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate is C24H32NO3S+.
What is the molecular weight of (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate?
The molecular weight of (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate is 414.21 g/mol.
Where can I buy (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate?
You can request a quote for (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.