2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride
TL;DR: 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride (CAS 17092-59-0) is a chemical compound with molecular formula C25H38ClNO5 and molecular weight 467.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;hydrochloride
Also Known As: 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride, 3,4,5-Trimetossibenzoato di 3-pirrolidinometil-2-bornanolo cloridrato [Italian], 3,4,5-Trimetossibenzoato di 3-pirrolidinometil-2-bornanolo cloridrato, Bicyclo(2.2.1)heptan-2-ol, 3-(1-pyrrolidinylmethyl)-1,7,7-trimethyl-, 3,4,5-trimethoxybenzoate (ester), hydrochloride, [4,7,7-trimethyl-2-(pyrrolidin-1-ylmethyl)-3-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate hydrochloride
| Molecular Formula | C25H38ClNO5 |
|---|---|
| Molecular Weight | 467.24 g/mol |
| LogP | 4.8277 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.24387 |
| Heavy Atoms | 32 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 17092-59-0 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2CN3CCCC3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C)C.Cl |
| InChIKey | XFVHUAALZBTJHR-UHFFFAOYSA-N |
Product Overview
2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride (CAS 17092-59-0), with molecular formula C25H38ClNO5 and molecular weight 467.24 g/mol. IUPAC: [1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate;hydrochloride.
Chemical Property Profile of 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride
Property Insights of 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride
The XLogP value of 4.8277 indicates that 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 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-(1-pyrrolidinylmethyl)-, 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-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride has 1 hydrogen bond donor(s) and 6 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 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride?
The CAS number of 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride is 17092-59-0.
What is the molecular formula of 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride?
The molecular formula of 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride is C25H38ClNO5.
What is the molecular weight of 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride?
The molecular weight of 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride is 467.24 g/mol.
Where can I buy 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride?
You can request a quote for 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 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-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Bornanol, 3-(1-pyrrolidinylmethyl)-, 3,4,5-trimethoxybenzoate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.