1,4,7-三氮杂环壬烷
TL;DR: 1,4,7-三氮杂环壬烷 (CAS 4730-54-5) is a chemical compound with molecular formula C6H18Cl3N3 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7-三氮杂环壬烷
1,4,7-triazonane;trihydrochloride
Also Known As: 1,4,7-triazonane Trihydrochloride, 1,4,7-Triazacyclononane trihydrochloride, 1,4,7-triazonane;trihydrochloride, 1,4,7-Triazonane 3HCl, 1,4,7-Triazonane triHCl
| Molecular Formula | C6H18Cl3N3 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 0.0342 |
| Topological Polar Surface Area | 36.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.05663 |
| Heavy Atoms | 12 |
| Complexity | 46.529324 |
Chemical Identifiers
| CAS Number | 4730-54-5 |
|---|---|
| SMILES | C1CNCCNCCN1.Cl.Cl.Cl |
Product Overview
1,4,7-三氮杂环壬烷 (CAS 4730-54-5), with molecular formula C6H18Cl3N3 and molecular weight 237.06 g/mol. IUPAC: 1,4,7-triazonane;trihydrochloride.
Chemical Property Profile of 1,4,7-三氮杂环壬烷
Property Insights of 1,4,7-三氮杂环壬烷
The XLogP value of 0.0342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,7-三氮杂环壬烷. With a topological polar surface area (TPSA) of 36.09 Ų, 1,4,7-三氮杂环壬烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,7-三氮杂环壬烷 has 3 hydrogen bond donor(s) and 3 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 1,4,7-三氮杂环壬烷?
The CAS number of 1,4,7-三氮杂环壬烷 is 4730-54-5.
What is the molecular formula of 1,4,7-三氮杂环壬烷?
The molecular formula of 1,4,7-三氮杂环壬烷 is C6H18Cl3N3.
What is the molecular weight of 1,4,7-三氮杂环壬烷?
The molecular weight of 1,4,7-三氮杂环壬烷 is 237.06 g/mol.
Where can I buy 1,4,7-三氮杂环壬烷?
You can request a quote for 1,4,7-三氮杂环壬烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7-三氮杂环壬烷?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7-三氮杂环壬烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.