Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate
TL;DR: Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate (CAS 1165-85-1) is a chemical compound with molecular formula C16H22N2O4S2 and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(2-ethoxy-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetate
Also Known As: Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate, 5,6,7,8-TETRAHYDRO-2,4-QUINAZOLINEBIS(ETHYL THIOGLYCOLATE), ethyl 2-({2-[(2-ethoxy-2-oxoethyl)sulfanyl]-5,6,7,8-tetrahydroquinazolin-4-yl}sulfanyl)acetate, ethyl 2-({4-[(2-ethoxy-2-oxoethyl)sulfanyl]-5,6,7,8-tetrahydroquinazolin-2-yl}sulfanyl)acetate, ethyl 2-[[2-(2-ethoxy-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetate
| Molecular Formula | C16H22N2O4S2 |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 2.6658 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 370.1021 |
| Heavy Atoms | 24 |
| Complexity | 595.6853 |
Chemical Identifiers
| CAS Number | 1165-85-1 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC2=C1CCCC2)SCC(=O)OCC |
Product Overview
Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate (CAS 1165-85-1), with molecular formula C16H22N2O4S2 and molecular weight 370.10 g/mol. IUPAC: ethyl 2-[[2-(2-ethoxy-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetate.
Chemical Property Profile of Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate
Property Insights of Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate
The XLogP value of 2.6658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate. Following Lipinski's Rule of Five, Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate has 0 hydrogen bond donor(s) and 8 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 Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate?
The CAS number of Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate is 1165-85-1.
What is the molecular formula of Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate?
The molecular formula of Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate is C16H22N2O4S2.
What is the molecular weight of Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate?
The molecular weight of Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate is 370.10 g/mol.
Where can I buy Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate?
You can request a quote for Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-((5,6,7,8-tetrahydroquinazoline-2,4-diyl)bis(sulfanediyl))diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.