2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl
TL;DR: 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl (CAS 17092-62-5) is a chemical compound with molecular formula C26H42Cl2N2O5 and molecular weight 532.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,7,7-trimethyl-3-[(4-methylpiperazin-1-yl)methyl]-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;dihydrochloride
Also Known As: 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl, 3,4,5-Trimetossibenzoato di 3-(N'-metilpiperazino)metil-2-bornanolo bicloridrato [Italian], Bicyclo(2.2.1)heptan-2-ol, 3-((4-methyl-1-piperazinyl)methyl)-1,7,7-trimethyl-, 3,4,5-trimethoxybenzoate (ester), dihydrochloride, 3,4,5-Trimetossibenzoato di 3-(N'-metilpiperazino)metil-2-bornanolo bicloridrato, [4,7,7-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-3-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate dihydrochloride
| Molecular Formula | C26H42Cl2N2O5 |
|---|---|
| Molecular Weight | 532.25 g/mol |
| LogP | 4.4011 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.2471 |
| Heavy Atoms | 35 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 17092-62-5 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2CN3CCN(CC3)C)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C)C.Cl.Cl |
| InChIKey | SVWXMMDDLJRODL-UHFFFAOYSA-N |
Product Overview
2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl (CAS 17092-62-5), with molecular formula C26H42Cl2N2O5 and molecular weight 532.25 g/mol. IUPAC: [1,7,7-trimethyl-3-[(4-methylpiperazin-1-yl)methyl]-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;dihydrochloride.
Chemical Property Profile of 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl
Property Insights of 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl
The XLogP value of 4.4011 indicates that 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl. Following Lipinski's Rule of Five, 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl?
The CAS number of 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl is 17092-62-5.
What is the molecular formula of 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl?
The molecular formula of 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl is C26H42Cl2N2O5.
What is the molecular weight of 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl?
The molecular weight of 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl is 532.25 g/mol.
Where can I buy 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl?
You can request a quote for 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl?
Yes, KEHONG BIO provides custom synthesis services for 2-Bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.