4,7,10,13-Tetraoxahexadecanedinitrile
TL;DR: 4,7,10,13-Tetraoxahexadecanedinitrile (CAS 57737-66-3) is a chemical compound with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-butoxy-3-methoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 4,7,10,13-Tetraoxahexadecanedinitrile, 4,6(1H,5H)-Pyrimidinedione, 1-((4-butoxy-3-methoxyphenyl)methoy)dihydro-2-thioxo-, 1-((4-Butoxy-3-methoxyphenyl)methoy)dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione, 1-[(4-butoxy-3-methoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C16H20N2O4S |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 2.0075 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.11438 |
| Heavy Atoms | 23 |
| Complexity | 598.09784 |
Chemical Identifiers
| CAS Number | 57737-66-3 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)CN2C(=O)CC(=O)NC2=S)OC |
Product Overview
4,7,10,13-Tetraoxahexadecanedinitrile (CAS 57737-66-3), with molecular formula C16H20N2O4S and molecular weight 336.11 g/mol. IUPAC: 1-[(4-butoxy-3-methoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 4,7,10,13-Tetraoxahexadecanedinitrile
Property Insights of 4,7,10,13-Tetraoxahexadecanedinitrile
The XLogP value of 2.0075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7,10,13-Tetraoxahexadecanedinitrile. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7,10,13-Tetraoxahexadecanedinitrile. Following Lipinski's Rule of Five, 4,7,10,13-Tetraoxahexadecanedinitrile has 1 hydrogen bond donor(s) and 5 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 4,7,10,13-Tetraoxahexadecanedinitrile?
The CAS number of 4,7,10,13-Tetraoxahexadecanedinitrile is 57737-66-3.
What is the molecular formula of 4,7,10,13-Tetraoxahexadecanedinitrile?
The molecular formula of 4,7,10,13-Tetraoxahexadecanedinitrile is C16H20N2O4S.
What is the molecular weight of 4,7,10,13-Tetraoxahexadecanedinitrile?
The molecular weight of 4,7,10,13-Tetraoxahexadecanedinitrile is 336.11 g/mol.
Where can I buy 4,7,10,13-Tetraoxahexadecanedinitrile?
You can request a quote for 4,7,10,13-Tetraoxahexadecanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7,10,13-Tetraoxahexadecanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,7,10,13-Tetraoxahexadecanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.