1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione
TL;DR: 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione (CAS 75491-64-4) is a chemical compound with molecular formula C9H18N2O3S and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione
Also Known As: 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione, RefChem:221924
| Molecular Formula | C9H18N2O3S |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | -0.4861 |
| Topological Polar Surface Area | 51.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.10382 |
| Heavy Atoms | 15 |
| Complexity | 164.74039 |
Chemical Identifiers
| CAS Number | 75491-64-4 |
|---|---|
| SMILES | C1COCCOCCOCCNC(=S)N1 |
Product Overview
1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione (CAS 75491-64-4), with molecular formula C9H18N2O3S and molecular weight 234.10 g/mol. IUPAC: 1,9,12-trioxa-4,6-diazacyclotetradecane-5-thione.
Chemical Property Profile of 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione
Property Insights of 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione
The XLogP value of -0.4861 indicates that 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.75 Ų, 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione has 2 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 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione?
The CAS number of 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione is 75491-64-4.
What is the molecular formula of 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione?
The molecular formula of 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione is C9H18N2O3S.
What is the molecular weight of 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione?
The molecular weight of 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione is 234.10 g/mol.
Where can I buy 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione?
You can request a quote for 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 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,9,12-Trioxa-4,6-diazacyclotetradecane-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.