![1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride structure](/static/products/4706/470686-79-4.webp)
1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride
TL;DR: 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride (CAS 470686-79-4) is a chemical compound with molecular formula C22H32ClNO and molecular weight 361.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidin-1-ium chloride
Also Known As: 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride, 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium;chloride
| Molecular Formula | C22H32ClNO |
|---|---|
| Molecular Weight | 361.22 g/mol |
| LogP | 1.5626 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.21725 |
| Heavy Atoms | 25 |
| Complexity | 578.9498 |
Chemical Identifiers
| CAS Number | 470686-79-4 |
|---|---|
| SMILES | CC1=CCC2CC1C(OC2)C[N+]3(CCCCC3)CC4=CC=CC=C4.[Cl-] |
Product Overview
1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride (CAS 470686-79-4), with molecular formula C22H32ClNO and molecular weight 361.22 g/mol. IUPAC: 1-benzyl-1-[(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)methyl]piperidin-1-ium chloride.
Chemical Property Profile of 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride
Property Insights of 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride
The XLogP value of 1.5626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride. With a topological polar surface area (TPSA) of 9.23 Ų, 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride has 0 hydrogen bond donor(s) and 1 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 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride?
The CAS number of 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride is 470686-79-4.
What is the molecular formula of 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride?
The molecular formula of 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride is C22H32ClNO.
What is the molecular weight of 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride?
The molecular weight of 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride is 361.22 g/mol.
Where can I buy 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride?
You can request a quote for 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-1-[(6-methyl-3-oxabicyclo[3.3.1]non-6-en-4-yl)methyl]piperidin-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.