3-((Diisopropylamino)methyl)-2-bornanol benzilate
TL;DR: 3-((Diisopropylamino)methyl)-2-bornanol benzilate (CAS 17066-36-3) 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-[[di(propan-2-yl)amino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-hydroxy-2,2-diphenylacetate
Also Known As: Benzilato di 3-di-I-propilaminometil-2-bornanolo, 3-((Diisopropylamino)methyl)-2-bornanol benzilate, Benzilato di 3-di-I-propilaminometil-2-bornanolo [Italian], 2-Bornanol, 3-((diisopropylamino)methyl)-, benzilate (ester), Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 3-((bis(1-methylethyl)amino)methyl)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester
| Molecular Formula | C31H43NO3 |
|---|---|
| Molecular Weight | 477.32 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 477.32428 |
| Heavy Atoms | 35 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 17066-36-3 |
|---|---|
| SMILES | CC(C)N(CC1C2CCC(C1OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)(C2(C)C)C)C(C)C |
| InChIKey | SCSXAYDBQQVIHA-UHFFFAOYSA-N |
Product Overview
3-((Diisopropylamino)methyl)-2-bornanol benzilate (CAS 17066-36-3), with molecular formula C31H43NO3 and molecular weight 477.32 g/mol. IUPAC: [3-[[di(propan-2-yl)amino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of 3-((Diisopropylamino)methyl)-2-bornanol benzilate
Property Insights of 3-((Diisopropylamino)methyl)-2-bornanol benzilate
The XLogP value of 7.1 indicates that 3-((Diisopropylamino)methyl)-2-bornanol benzilate 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-((Diisopropylamino)methyl)-2-bornanol benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((Diisopropylamino)methyl)-2-bornanol benzilate 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-((Diisopropylamino)methyl)-2-bornanol benzilate?
The CAS number of 3-((Diisopropylamino)methyl)-2-bornanol benzilate is 17066-36-3.
What is the molecular formula of 3-((Diisopropylamino)methyl)-2-bornanol benzilate?
The molecular formula of 3-((Diisopropylamino)methyl)-2-bornanol benzilate is C31H43NO3.
What is the molecular weight of 3-((Diisopropylamino)methyl)-2-bornanol benzilate?
The molecular weight of 3-((Diisopropylamino)methyl)-2-bornanol benzilate is 477.32 g/mol.
Where can I buy 3-((Diisopropylamino)methyl)-2-bornanol benzilate?
You can request a quote for 3-((Diisopropylamino)methyl)-2-bornanol benzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((Diisopropylamino)methyl)-2-bornanol benzilate?
Yes, KEHONG BIO provides custom synthesis services for 3-((Diisopropylamino)methyl)-2-bornanol benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.