6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate
TL;DR: 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate (CAS 65981-50-2) is a chemical compound with molecular formula C18H26N2O3 and molecular weight 318.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5S)-6,7-dimethyl-6,7-diazabicyclo[3.2.2]nonan-3-yl] 3-hydroxy-2-phenylpropanoate
Also Known As: 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate, Benzeneacetic acid, alpha-(hydroxymethyl)-, 6,7-dimethyl-6,7-diazabicyclo(3.2.2)non-3-yl ester, (1-alpha,3-alpha,5-alpha)-
| Molecular Formula | C18H26N2O3 |
|---|---|
| Molecular Weight | 318.19 g/mol |
| LogP | 1.7777 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.19434 |
| Heavy Atoms | 23 |
| Complexity | 518.32806 |
Chemical Identifiers
| CAS Number | 65981-50-2 |
|---|---|
| SMILES | CN1[C@@H]2CC[C@H](N1C)CC(C2)OC(=O)C(CO)C3=CC=CC=C3 |
Product Overview
6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate (CAS 65981-50-2), with molecular formula C18H26N2O3 and molecular weight 318.19 g/mol. IUPAC: [(1R,5S)-6,7-dimethyl-6,7-diazabicyclo[3.2.2]nonan-3-yl] 3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate
Property Insights of 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate
The XLogP value of 1.7777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate. With a topological polar surface area (TPSA) of 53.01 Ų, 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate has 1 hydrogen bond donor(s) and 5 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 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate?
The CAS number of 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate is 65981-50-2.
What is the molecular formula of 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate?
The molecular formula of 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate is C18H26N2O3.
What is the molecular weight of 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate?
The molecular weight of 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate is 318.19 g/mol.
Where can I buy 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate?
You can request a quote for 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethyl-6,7-diazabicyclo(3.2.2)non-3-alpha-yl tropate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.