16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
TL;DR: 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (CAS 69978-47-8) is a chemical compound with molecular formula C13H27NO5 and molecular weight 277.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
Also Known As: 1-Methyl-1-aza-18-crown-6, 16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane, J1.158.050E, 1-Methyl-1-aza-4,7,10,13,16-pentaoxacyclooctadecane
| Molecular Formula | C13H27NO5 |
|---|---|
| Molecular Weight | 277.19 g/mol |
| LogP | 0.0148 |
| Topological Polar Surface Area | 49.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.18893 |
| Heavy Atoms | 19 |
| Complexity | 175.87239 |
Chemical Identifiers
| CAS Number | 69978-47-8 |
|---|---|
| SMILES | CN1CCOCCOCCOCCOCCOCC1 |
Product Overview
16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane (CAS 69978-47-8), with molecular formula C13H27NO5 and molecular weight 277.19 g/mol. IUPAC: 16-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane.
Chemical Property Profile of 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
Property Insights of 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
The XLogP value of 0.0148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane. With a topological polar surface area (TPSA) of 49.39 Ų, 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane 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 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The CAS number of 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is 69978-47-8.
What is the molecular formula of 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The molecular formula of 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is C13H27NO5.
What is the molecular weight of 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
The molecular weight of 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane is 277.19 g/mol.
Where can I buy 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
You can request a quote for 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane?
Yes, KEHONG BIO provides custom synthesis services for 16-Methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.