![3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene structure](/static/products/3032/303227-16-9.webp)
3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene
TL;DR: 3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene (CAS 303227-16-9) is a chemical compound with molecular formula C17H16N2OS and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenoxy)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene, 4-(4-methylphenoxy)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 4-(4-methylphenoxy)-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]pyrimidine
| Molecular Formula | C17H16N2OS |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.09833 |
| Heavy Atoms | 21 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 303227-16-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=C3C4=C(CCCC4)SC3=NC=N2 |
| InChIKey | DTLCYKPGENHRDI-UHFFFAOYSA-N |
Product Overview
3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene (CAS 303227-16-9), with molecular formula C17H16N2OS and molecular weight 296.10 g/mol. IUPAC: 4-(4-methylphenoxy)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene
Property Insights of 3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene
The XLogP value of 5.0 indicates that 3-(4-methylphenoxy)-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. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene. Following Lipinski's Rule of Five, 3-(4-methylphenoxy)-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 4 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-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
The CAS number of 3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene is 303227-16-9.
What is the molecular formula of 3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
The molecular formula of 3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene is C17H16N2OS.
What is the molecular weight of 3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene?
The molecular weight of 3-(4-methylphenoxy)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraene is 296.10 g/mol.
Where can I buy 3-(4-methylphenoxy)-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-(4-methylphenoxy)-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-(4-methylphenoxy)-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-(4-methylphenoxy)-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.