3-((Dipropylamino)methyl)-2-bornanol benzilate (ester)
TL;DR: 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester) (CAS 17092-77-2) is a chemical compound with molecular formula C31H43NO3 and molecular weight 477.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(dipropylamino)methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-hydroxy-2,2-diphenylacetate
Also Known As: Benzilato di 3-di-n-propilaminometil-2-bornanolo, 2-Bornanol, 3-((dipropylamino)methyl)-, benzilate (ester), Benzilato di 3-di-n-propilaminometil-2-bornanolo [Italian], 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester), Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 3-((dipropylamino)methyl)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester
| Molecular Formula | C31H43NO3 |
|---|---|
| Molecular Weight | 477.32 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 477.32428 |
| Heavy Atoms | 35 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 17092-77-2 |
|---|---|
| SMILES | CCCN(CCC)CC1C2CCC(C1OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)(C2(C)C)C |
| InChIKey | VIMFXCZXDWJYJE-UHFFFAOYSA-N |
Product Overview
3-((Dipropylamino)methyl)-2-bornanol benzilate (ester) (CAS 17092-77-2), with molecular formula C31H43NO3 and molecular weight 477.32 g/mol. IUPAC: [3-[(dipropylamino)methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester)
Property Insights of 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester)
The XLogP value of 7.3 indicates that 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester) has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester)?
The CAS number of 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester) is 17092-77-2.
What is the molecular formula of 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester)?
The molecular formula of 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester) is C31H43NO3.
What is the molecular weight of 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester)?
The molecular weight of 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester) is 477.32 g/mol.
Where can I buy 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester)?
You can request a quote for 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 3-((Dipropylamino)methyl)-2-bornanol benzilate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.