1,9-Dioxa-4,6-diazacycloundecane-5-thione
TL;DR: 1,9-Dioxa-4,6-diazacycloundecane-5-thione (CAS 74804-38-9) is a chemical compound with molecular formula C7H14N2O2S and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,9-dioxa-4,6-diazacycloundecane-5-thione
Also Known As: 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 1,4-Dioxa-7,9-diazacycloundecane-8-thione, 1,3-diaza-6,9-dioxacycloundecane-2-thione, 1,9-Dioxa-4,6-diazacycloundecane-5-thione #, RefChem:221936
| Molecular Formula | C7H14N2O2S |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | -0.5027 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.0776 |
| Heavy Atoms | 12 |
| Complexity | 129.36807 |
Chemical Identifiers
| CAS Number | 74804-38-9 |
|---|---|
| SMILES | C1COCCOCCNC(=S)N1 |
Product Overview
1,9-Dioxa-4,6-diazacycloundecane-5-thione (CAS 74804-38-9), with molecular formula C7H14N2O2S and molecular weight 190.08 g/mol. IUPAC: 1,9-dioxa-4,6-diazacycloundecane-5-thione.
Chemical Property Profile of 1,9-Dioxa-4,6-diazacycloundecane-5-thione
Property Insights of 1,9-Dioxa-4,6-diazacycloundecane-5-thione
The XLogP value of -0.5027 indicates that 1,9-Dioxa-4,6-diazacycloundecane-5-thione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.52 Ų, 1,9-Dioxa-4,6-diazacycloundecane-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,9-Dioxa-4,6-diazacycloundecane-5-thione has 2 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 1,9-Dioxa-4,6-diazacycloundecane-5-thione?
The CAS number of 1,9-Dioxa-4,6-diazacycloundecane-5-thione is 74804-38-9.
What is the molecular formula of 1,9-Dioxa-4,6-diazacycloundecane-5-thione?
The molecular formula of 1,9-Dioxa-4,6-diazacycloundecane-5-thione is C7H14N2O2S.
What is the molecular weight of 1,9-Dioxa-4,6-diazacycloundecane-5-thione?
The molecular weight of 1,9-Dioxa-4,6-diazacycloundecane-5-thione is 190.08 g/mol.
Where can I buy 1,9-Dioxa-4,6-diazacycloundecane-5-thione?
You can request a quote for 1,9-Dioxa-4,6-diazacycloundecane-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-Dioxa-4,6-diazacycloundecane-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,9-Dioxa-4,6-diazacycloundecane-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.