1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl-
TL;DR: 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl- (CAS 89864-24-4) is a chemical compound with molecular formula C9H18N2O2S and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecane-5-thione
Also Known As: 4,6-Dimethyl-1,9-dioxa-4,6-diazacycloundecane-5-thione, 7,9-Dimethyl-1,4-dioxa-7,9-diazacycloundecane-8-thione, 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl-, 1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone,hydrochloride, 3-[1-(1,3-dithian-2-ylidene)ethyl]aniline,hydrochloride
| Molecular Formula | C9H18N2O2S |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.1089 |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 89864-24-4 |
|---|---|
| SMILES | CN1CCOCCOCCN(C1=S)C |
| InChIKey | GSAQHDMGOVWHJJ-UHFFFAOYSA-N |
Product Overview
1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl- (CAS 89864-24-4), with molecular formula C9H18N2O2S and molecular weight 218.11 g/mol. IUPAC: 4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecane-5-thione.
Chemical Property Profile of 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl-
Property Insights of 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl-
The XLogP value of -0.2 indicates that 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.0 Ų, 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl- has 0 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, 4,6-dimethyl-?
The CAS number of 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl- is 89864-24-4.
What is the molecular formula of 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl-?
The molecular formula of 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl- is C9H18N2O2S.
What is the molecular weight of 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl-?
The molecular weight of 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl- is 218.11 g/mol.
Where can I buy 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl-?
You can request a quote for 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl- 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, 4,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,9-Dioxa-4,6-diazacycloundecane-5-thione, 4,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.