![3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene structure](/static/products/7361/736192-85-1.webp)
3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene
TL;DR: 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene (CAS 736192-85-1) is a chemical compound with molecular formula C18H17ClN2O2S and molecular weight 360.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-chlorophenoxy)ethoxy]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene, 4-[2-(4-chlorophenoxy)ethoxy]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 4-[2-(4-chlorophenoxy)ethoxy]-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]pyrimi dine
| Molecular Formula | C18H17ClN2O2S |
|---|---|
| Molecular Weight | 360.07 g/mol |
| LogP | 4.6813 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.06992 |
| Heavy Atoms | 24 |
| Complexity | 848.09607 |
Chemical Identifiers
| CAS Number | 736192-85-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=CN=C3S2)OCCOC4=CC=C(C=C4)Cl |
Product Overview
3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene (CAS 736192-85-1), with molecular formula C18H17ClN2O2S and molecular weight 360.07 g/mol. IUPAC: 4-[2-(4-chlorophenoxy)ethoxy]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene
Property Insights of 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene
The XLogP value of 4.6813 indicates that 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene has 0 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 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
The CAS number of 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene is 736192-85-1.
What is the molecular formula of 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
The molecular formula of 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene is C18H17ClN2O2S.
What is the molecular weight of 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
The molecular weight of 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene is 360.07 g/mol.
Where can I buy 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
You can request a quote for 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-chlorophenoxy)ethoxy]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.