12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl-
TL;DR: 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl- (CAS 200127-94-2) is a chemical compound with molecular formula C18H30N2O4S2 and molecular weight 402.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-propyl-12-oxa-16,17-dithia-2,20-diazabicyclo[12.4.2]icosane-3,13,19-trione
Also Known As: J1.494.650K, 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl-, 11-propyl-12-oxa-16,17-dithia-2,20-diazabicyclo[12.4.2]icosane-3,13,19-trione, 4-propyl-3-oxa-16,17-dithia-13,19-diazabicyclo[12.4.2]icosane-2,12,20-trione, 9-Propyl-12,15-(dithiobismethylene)-10-oxa-13,16-diazacyclohexadecane-1,11,14-trione
| Molecular Formula | C18H30N2O4S2 |
|---|---|
| Molecular Weight | 402.16 g/mol |
| LogP | 2.8072 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.1647 |
| Heavy Atoms | 26 |
| Complexity | 489.81155 |
Chemical Identifiers
| CAS Number | 200127-94-2 |
|---|---|
| SMILES | CCCC1CCCCCCCC(=O)NC2CSSCC(C(=O)O1)NC2=O |
Product Overview
12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl- (CAS 200127-94-2), with molecular formula C18H30N2O4S2 and molecular weight 402.16 g/mol. IUPAC: 11-propyl-12-oxa-16,17-dithia-2,20-diazabicyclo[12.4.2]icosane-3,13,19-trione.
Chemical Property Profile of 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl-
Property Insights of 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl-
The XLogP value of 2.8072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl-. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl-. Following Lipinski's Rule of Five, 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl- has 2 hydrogen bond donor(s) and 6 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 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl-?
The CAS number of 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl- is 200127-94-2.
What is the molecular formula of 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl-?
The molecular formula of 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl- is C18H30N2O4S2.
What is the molecular weight of 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl-?
The molecular weight of 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl- is 402.16 g/mol.
Where can I buy 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl-?
You can request a quote for 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 12-Oxa-16,17-dithia-2,20-diazabicyclo(12.4.2)eicosane-3,13,19-trione, 11-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.