10-Benzyl-1,4,7-trioxa-10-azacyclododecane
TL;DR: 10-Benzyl-1,4,7-trioxa-10-azacyclododecane (CAS 85605-18-1) is a chemical compound with molecular formula C15H23NO3 and molecular weight 265.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-benzyl-1,4,7-trioxa-10-azacyclododecane
Also Known As: 1-Benzyl-1-aza-12-crown-4, 10-Benzyl-1,4,7-trioxa-10-azacyclododecane, 1-benzyl-1-aza-4,7,10-trioxacyclododecane, 10-Benzyl-1,4,7-trioxa-10-aza-cyclododecane, 10-(Benzyl)-1,4,7-trioxa-10-azacyclododecane
| Molecular Formula | C15H23NO3 |
|---|---|
| Molecular Weight | 265.17 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.1678 |
| Heavy Atoms | 19 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 85605-18-1 |
|---|---|
| SMILES | C1COCCOCCOCCN1CC2=CC=CC=C2 |
| InChIKey | JPSAXKRUQAICFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
10-Benzyl-1,4,7-trioxa-10-azacyclododecane (CAS 85605-18-1), with molecular formula C15H23NO3 and molecular weight 265.17 g/mol. IUPAC: 10-benzyl-1,4,7-trioxa-10-azacyclododecane.
Chemical Property Profile of 10-Benzyl-1,4,7-trioxa-10-azacyclododecane
Property Insights of 10-Benzyl-1,4,7-trioxa-10-azacyclododecane
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Benzyl-1,4,7-trioxa-10-azacyclododecane. With a topological polar surface area (TPSA) of 30.9 Ų, 10-Benzyl-1,4,7-trioxa-10-azacyclododecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-Benzyl-1,4,7-trioxa-10-azacyclododecane has 0 hydrogen bond donor(s) and 4 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 10-Benzyl-1,4,7-trioxa-10-azacyclododecane?
The CAS number of 10-Benzyl-1,4,7-trioxa-10-azacyclododecane is 85605-18-1.
What is the molecular formula of 10-Benzyl-1,4,7-trioxa-10-azacyclododecane?
The molecular formula of 10-Benzyl-1,4,7-trioxa-10-azacyclododecane is C15H23NO3.
What is the molecular weight of 10-Benzyl-1,4,7-trioxa-10-azacyclododecane?
The molecular weight of 10-Benzyl-1,4,7-trioxa-10-azacyclododecane is 265.17 g/mol.
Where can I buy 10-Benzyl-1,4,7-trioxa-10-azacyclododecane?
You can request a quote for 10-Benzyl-1,4,7-trioxa-10-azacyclododecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Benzyl-1,4,7-trioxa-10-azacyclododecane?
Yes, KEHONG BIO provides custom synthesis services for 10-Benzyl-1,4,7-trioxa-10-azacyclododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.