2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride
TL;DR: 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride (CAS 17092-58-9) is a chemical compound with molecular formula C27H44ClNO5 and molecular weight 497.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[di(propan-2-yl)amino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;hydrochloride
Also Known As: 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride, 3,4,5-Trimetossibenzoato di 3-di-i-propilaminometil-2-bornanolo cloridrato [Italian], 3,4,5-Trimetossibenzoato di 3-di-i-propilaminometil-2-bornanolo cloridrato, Bicyclo(2.2.1)heptan-2-ol, 3-((bis(1-methylethyl)amino)methyl)-1,7,7-trimethyl-, 3,4,5-trimethoxybenzoate (ester), hydrochloride, [2-[[di(propan-2-yl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate hydrochloride
| Molecular Formula | C27H44ClNO5 |
|---|---|
| Molecular Weight | 497.29 g/mol |
| LogP | 5.8507 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 497.2908 |
| Heavy Atoms | 34 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 17092-58-9 |
|---|---|
| SMILES | CC(C)N(CC1C2CCC(C1OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)(C2(C)C)C)C(C)C.Cl |
| InChIKey | VNLUVBGCEIJDSS-UHFFFAOYSA-N |
Product Overview
2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride (CAS 17092-58-9), with molecular formula C27H44ClNO5 and molecular weight 497.29 g/mol. IUPAC: [3-[[di(propan-2-yl)amino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;hydrochloride.
Chemical Property Profile of 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride
Property Insights of 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride
The XLogP value of 5.8507 indicates that 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride has 1 hydrogen bond donor(s) and 6 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-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride?
The CAS number of 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride is 17092-58-9.
What is the molecular formula of 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride?
The molecular formula of 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride is C27H44ClNO5.
What is the molecular weight of 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride?
The molecular weight of 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride is 497.29 g/mol.
Where can I buy 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride?
You can request a quote for 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride 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-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Bornanol, 3-((diisopropylamino)methyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.