4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione
TL;DR: 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione (CAS 89863-08-1) is a chemical compound with molecular formula C11H22N2O3S and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione
Also Known As: 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione, BAS 00926715, BRD-K14135180-001-07-0, 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione,4,6-dimethyl-, 10,12-Dimethyl-1,4,7-trioxa-10,12-diazacyclotetradecane-11-thione
| Molecular Formula | C11H22N2O3S |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.1351 |
| Heavy Atoms | 17 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 89863-08-1 |
|---|---|
| SMILES | CN1CCOCCOCCOCCN(C1=S)C |
| InChIKey | ZERWTZQUNZMGHN-UHFFFAOYSA-N |
Product Overview
4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione (CAS 89863-08-1), with molecular formula C11H22N2O3S and molecular weight 262.14 g/mol. IUPAC: 4,6-dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione.
Chemical Property Profile of 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione
Property Insights of 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione
The XLogP value of -0.3 indicates that 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione. Following Lipinski's Rule of Five, 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione 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 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione?
The CAS number of 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione is 89863-08-1.
What is the molecular formula of 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione?
The molecular formula of 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione is C11H22N2O3S.
What is the molecular weight of 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione?
The molecular weight of 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione is 262.14 g/mol.
Where can I buy 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione?
You can request a quote for 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.