N,N'-Dimethylphlegmarine
TL;DR: N,N'-Dimethylphlegmarine (CAS 66834-90-0) is a chemical compound with molecular formula C18H34N2 and molecular weight 278.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,5R,7S,8aS)-1,7-dimethyl-5-[(1-methylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
Also Known As: N,N'-Dimethylphlegmarine, 1,7-Dimethyl-5-[(1-methylpiperidin-2-yl)methyl]decahydroquinoline, (4aS,5R,7S,8aS)-1,7-dimethyl-5-[(1-methyl-2-piperidyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline, (4aS,5R,7S,8aS)-1,7-dimethyl-5-[(1-methylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline, (4aS,5R,7S,8aS)-1,7-dimethyl-5-[(1-methylpiperidin-2-yl)methyl]decahydroquinoline
| Molecular Formula | C18H34N2 |
|---|---|
| Molecular Weight | 278.27 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.2722 |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 66834-90-0 |
|---|---|
| SMILES | C[C@H]1C[C@@H]([C@@H]2CCCN([C@H]2C1)C)CC3CCCCN3C |
| InChIKey | VUYBAOJMKXWHTC-MPBYHJMHSA-N |
Product Overview
N,N'-Dimethylphlegmarine (CAS 66834-90-0), with molecular formula C18H34N2 and molecular weight 278.27 g/mol. IUPAC: (4aS,5R,7S,8aS)-1,7-dimethyl-5-[(1-methylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
Chemical Property Profile of N,N'-Dimethylphlegmarine
Property Insights of N,N'-Dimethylphlegmarine
The XLogP value of 4.1 indicates that N,N'-Dimethylphlegmarine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, N,N'-Dimethylphlegmarine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Dimethylphlegmarine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N'-Dimethylphlegmarine?
The CAS number of N,N'-Dimethylphlegmarine is 66834-90-0.
What is the molecular formula of N,N'-Dimethylphlegmarine?
The molecular formula of N,N'-Dimethylphlegmarine is C18H34N2.
What is the molecular weight of N,N'-Dimethylphlegmarine?
The molecular weight of N,N'-Dimethylphlegmarine is 278.27 g/mol.
Where can I buy N,N'-Dimethylphlegmarine?
You can request a quote for N,N'-Dimethylphlegmarine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Dimethylphlegmarine?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Dimethylphlegmarine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.