1,4,7,10,13,16-六氮杂环十八烷
TL;DR: 1,4,7,10,13,16-六氮杂环十八烷 (CAS 296-35-5) is a chemical compound with molecular formula C12H30N6 and molecular weight 258.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7,10,13,16-六氮杂环十八烷
1,4,7,10,13,16-hexazacyclooctadecane
Also Known As: Hexacyclen, 1,4,7,10,13,16-Hexaazacyclooctadecane, Saquayamycin B1, hexaaza-18-crown-6, 1,4,7,10,13,16-hexazacyclooctadecane
| Molecular Formula | C12H30N6 |
|---|---|
| Molecular Weight | 258.25 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.2532 |
| Heavy Atoms | 18 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 296-35-5 |
|---|---|
| SMILES | C1CNCCNCCNCCNCCNCCN1 |
| InChIKey | RVJABZUDCPZPPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,7,10,13,16-六氮杂环十八烷 (CAS 296-35-5), with molecular formula C12H30N6 and molecular weight 258.25 g/mol. IUPAC: 1,4,7,10,13,16-hexazacyclooctadecane.
Chemical Property Profile of 1,4,7,10,13,16-六氮杂环十八烷
Property Insights of 1,4,7,10,13,16-六氮杂环十八烷
The XLogP value of -3.2 indicates that 1,4,7,10,13,16-六氮杂环十八烷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,7,10,13,16-六氮杂环十八烷. Following Lipinski's Rule of Five, 1,4,7,10,13,16-六氮杂环十八烷 has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4,7,10,13,16-六氮杂环十八烷?
The CAS number of 1,4,7,10,13,16-六氮杂环十八烷 is 296-35-5.
What is the molecular formula of 1,4,7,10,13,16-六氮杂环十八烷?
The molecular formula of 1,4,7,10,13,16-六氮杂环十八烷 is C12H30N6.
What is the molecular weight of 1,4,7,10,13,16-六氮杂环十八烷?
The molecular weight of 1,4,7,10,13,16-六氮杂环十八烷 is 258.25 g/mol.
Where can I buy 1,4,7,10,13,16-六氮杂环十八烷?
You can request a quote for 1,4,7,10,13,16-六氮杂环十八烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7,10,13,16-六氮杂环十八烷?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,10,13,16-六氮杂环十八烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.