10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane
TL;DR: 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane (CAS 300359-71-1) is a chemical compound with molecular formula C15H22N2O5 and molecular weight 310.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(4-nitrophenyl)methyl]-1,4,7-trioxa-10-azacyclododecane
Also Known As: 10-(4-nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane, 10-[(4-nitrophenyl)methyl]-1,4,7-trioxa-10-azacyclododecane, BAS 00110737, 10-(4-Nitro-benzyl)-1,4,7-trioxa-10-aza-cyclododecane, 10-[(p-nitrophenyl)methyl]-1,4,7-trioxa-10-azacyclododecane
| Molecular Formula | C15H22N2O5 |
|---|---|
| Molecular Weight | 310.15 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.15286 |
| Heavy Atoms | 22 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 300359-71-1 |
|---|---|
| SMILES | C1COCCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ADVUCUCSVSOBQR-UHFFFAOYSA-N |
Product Overview
10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane (CAS 300359-71-1), with molecular formula C15H22N2O5 and molecular weight 310.15 g/mol. IUPAC: 10-[(4-nitrophenyl)methyl]-1,4,7-trioxa-10-azacyclododecane.
Chemical Property Profile of 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane
Property Insights of 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane. Following Lipinski's Rule of Five, 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane has 0 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 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane?
The CAS number of 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane is 300359-71-1.
What is the molecular formula of 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane?
The molecular formula of 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane is C15H22N2O5.
What is the molecular weight of 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane?
The molecular weight of 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane is 310.15 g/mol.
Where can I buy 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane?
You can request a quote for 10-(4-Nitrobenzyl)-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-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane?
Yes, KEHONG BIO provides custom synthesis services for 10-(4-Nitrobenzyl)-1,4,7-trioxa-10-azacyclododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.