RefChem:329191
TL;DR: RefChem:329191 (CAS 17092-63-6) is a chemical compound with molecular formula C28H48Cl2N2O5 and molecular weight 562.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[2-(diethylamino)ethyl-methylamino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;dihydrochloride
Also Known As: 2-Bornanol, 3-(((2-(diethylamino)ethyl)methylamino)methyl)-, 3,4,5-trimethoxybenzoate, 2HCl, Bicyclo(2.2.1)heptan-2-ol, 3-(((2-(diethylamino)ethyl)methylamino)methyl)-1,7,7-trimethyl-, 3,4,5-trimethoxybenzoate (ester), dihydrochloride, [2-[[2-diethylaminoethyl(methyl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate dihydrochloride, 3-({[2-(Diethylamino)ethyl](methyl)amino}methyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/2), RefChem:329191
| Molecular Formula | C28H48Cl2N2O5 |
|---|---|
| Molecular Weight | 562.29 g/mol |
| LogP | 5.4273 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 562.294 |
| Heavy Atoms | 37 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 17092-63-6 |
|---|---|
| SMILES | CCN(CC)CCN(C)CC1C2CCC(C1OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)(C2(C)C)C.Cl.Cl |
| InChIKey | OCGRKDHXZHGXEP-UHFFFAOYSA-N |
Product Overview
RefChem:329191 (CAS 17092-63-6), with molecular formula C28H48Cl2N2O5 and molecular weight 562.29 g/mol. IUPAC: [3-[[2-(diethylamino)ethyl-methylamino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;dihydrochloride.
Chemical Property Profile of RefChem:329191
Property Insights of RefChem:329191
The XLogP value of 5.4273 indicates that RefChem:329191 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 RefChem:329191. Following Lipinski's Rule of Five, RefChem:329191 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 RefChem:329191?
The CAS number of RefChem:329191 is 17092-63-6.
What is the molecular formula of RefChem:329191?
The molecular formula of RefChem:329191 is C28H48Cl2N2O5.
What is the molecular weight of RefChem:329191?
The molecular weight of RefChem:329191 is 562.29 g/mol.
Where can I buy RefChem:329191?
You can request a quote for RefChem:329191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:329191?
Yes, KEHONG BIO provides custom synthesis services for RefChem:329191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.